| Year |
Citation |
Score |
| 2019 |
Eskridge B, Krakauer H, Zhang S. Local Embedding and Effective Downfolding in the Auxiliary-Field Quantum Monte Carlo Method. Journal of Chemical Theory and Computation. PMID 31244125 DOI: 10.1021/Acs.Jctc.8B01244 |
0.303 |
|
| 2019 |
Wei SH, Krakauer H. Local-density-functional calculation of the pressure-induced metallization of BaSe and BaTe. Physical Review Letters. 55: 1200-1203. PMID 10031754 DOI: 10.1103/Physrevlett.55.1200 |
0.507 |
|
| 2019 |
Wei SH, Krakauer H, Weinert M. Linearized augmented-plane-wave calculation of the electronic structure and total energy of tungsten. Physical Review. B, Condensed Matter. 32: 7792-7797. PMID 9936950 DOI: 10.1103/Physrevb.32.7792 |
0.601 |
|
| 2017 |
Ma F, Zhang S, Krakauer H. Auxiliary-field quantum Monte Carlo calculations with multiple-projector pseudopotentials Physical Review B. 95: 165103. DOI: 10.1103/Physrevb.95.165103 |
0.408 |
|
| 2016 |
Purwanto W, Zhang S, Krakauer H. Auxiliary-field quantum Monte Carlo calculations of the molybdenum dimer. The Journal of Chemical Physics. 144: 244306. PMID 27369514 DOI: 10.1063/1.4954245 |
0.41 |
|
| 2015 |
Ma F, Purwanto W, Zhang S, Krakauer H. Quantum Monte Carlo Calculations in Solids with Downfolded Hamiltonians. Physical Review Letters. 114: 226401. PMID 26196632 DOI: 10.1103/Physrevlett.114.226401 |
0.384 |
|
| 2015 |
Purwanto W, Zhang S, Krakauer H. An auxiliary-field quantum Monte Carlo study of the chromium dimer. The Journal of Chemical Physics. 142: 064302. PMID 25681901 DOI: 10.1063/1.4906829 |
0.376 |
|
| 2015 |
Komelj M, Krakauer H. Electron-phonon coupling and exchange-correlation effects in superconducting H3 S under high pressure Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.205125 |
0.418 |
|
| 2014 |
Virgus Y, Purwanto W, Krakauer H, Zhang S. Stability, energetics, and magnetic states of cobalt adatoms on graphene. Physical Review Letters. 113: 175502. PMID 25379922 DOI: 10.1103/Physrevlett.113.175502 |
0.316 |
|
| 2013 |
Purwanto W, Zhang S, Krakauer H. Frozen-Orbital and Downfolding Calculations with Auxiliary-Field Quantum Monte Carlo. Journal of Chemical Theory and Computation. 9: 4825-33. PMID 26583401 DOI: 10.1021/Ct4006486 |
0.389 |
|
| 2013 |
Huffman TJ, Xu P, Qazilbash MM, Walter EJ, Krakauer H, Wei J, Cobden DH, Bechtel HA, Martin MC, Carr GL, Basov DN. Anisotropic infrared response of vanadium dioxide microcrystals Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.115121 |
0.359 |
|
| 2013 |
Ma F, Zhang S, Krakauer H. Excited state calculations in solids by auxiliary-field quantum Monte Carlo New Journal of Physics. 15. DOI: 10.1088/1367-2630/15/9/093017 |
0.416 |
|
| 2012 |
Virgus Y, Purwanto W, Krakauer H, Zhang S. Ab initio many-body study of cobalt adatoms adsorbed on graphene Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.241406 |
0.334 |
|
| 2011 |
Purwanto W, Krakauer H, Virgus Y, Zhang S. Assessing weak hydrogen binding on Ca+ centers: an accurate many-body study with large basis sets. The Journal of Chemical Physics. 135: 164105. PMID 22047226 DOI: 10.1063/1.3654002 |
0.31 |
|
| 2011 |
Pechkis DL, Walter EJ, Krakauer H. First-principles calculations of 17O nuclear magnetic resonance chemical shielding in Pb(Zr(1/2)Ti(1/2))O3 and Pb(Mg(1/3)Nb(2/3))O3: linear dependence on transition-metal/oxygen bond lengths. The Journal of Chemical Physics. 135: 114507. PMID 21950871 DOI: 10.1063/1.3637945 |
0.761 |
|
| 2011 |
Ma F, Zhang S, Krakauer H. Finite-size correction in many-body electronic structure calculations of magnetic systems Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.155130 |
0.369 |
|
| 2010 |
Pickett WE, Singh DJ, Krakauer H, Cohen RE. Fermi surfaces, fermi liquids, and high-temperature superconductors. Science (New York, N.Y.). 255: 46-54. PMID 17739913 DOI: 10.1126/Science.255.5040.46 |
0.572 |
|
| 2009 |
Pechkis DL, Walter EJ, Krakauer H. High sensitivity of 17O NMR to p-d hybridization in transition metal perovskites: first principles calculations of large anisotropic chemical shielding. The Journal of Chemical Physics. 131: 184511. PMID 19916616 DOI: 10.1063/1.3257625 |
0.765 |
|
| 2009 |
Purwanto W, Zhang S, Krakauer H. Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: Potential energy curves of low-lying C(2) singlet states. The Journal of Chemical Physics. 130: 094107. PMID 19275396 DOI: 10.1063/1.3077920 |
0.369 |
|
| 2009 |
Purwanto W, Krakauer H, Zhang S. Pressure-induced diamond to β -tin transition in bulk silicon: A quantum Monte Carlo study Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.214116 |
0.347 |
|
| 2008 |
Kwee H, Zhang S, Krakauer H. Finite-size correction in many-body electronic structure calculations. Physical Review Letters. 100: 126404. PMID 18517892 DOI: 10.1103/Physrevlett.100.126404 |
0.373 |
|
| 2008 |
Purwanto W, Al-Saidi WA, Krakauer H, Zhang S. Eliminating spin contamination in auxiliary-field quantum Monte Carlo: realistic potential energy curve of F(2). The Journal of Chemical Physics. 128: 114309. PMID 18361573 DOI: 10.1063/1.2838983 |
0.313 |
|
| 2008 |
Blinc R, Laguta VV, Zalar B, Itoh M, Krakauer H. 17O quadrupole coupling and the origin of ferroelectricity in isotopically enriched BaTiO3 and SrTiO3 Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/8/085204 |
0.369 |
|
| 2007 |
Al-Saidi WA, Zhang S, Krakauer H. Bond breaking with auxiliary-field quantum Monte Carlo. The Journal of Chemical Physics. 127: 144101. PMID 17935380 DOI: 10.1063/1.2770707 |
0.353 |
|
| 2007 |
Al-Saidi WA, Krakauer H, Zhang S. A study of H+H2 and several H-bonded molecules by phaseless auxiliary-field quantum Monte Carlo with plane wave and Gaussian basis sets. The Journal of Chemical Physics. 126: 194105. PMID 17523796 DOI: 10.1063/1.2735296 |
0.372 |
|
| 2007 |
Mao D, Walter EJ, Krakauer H, Wu Z. Structural dependence of electric field gradients in Pb (Zr1-x Tix) O3 from first principles Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.014105 |
0.32 |
|
| 2007 |
Suewattana M, Purwanto W, Zhang S, Krakauer H, Walter EJ. Phaseless auxiliary-field quantum Monte Carlo calculations with plane waves and pseudopotentials: Applications to atoms and molecules Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.245123 |
0.383 |
|
| 2006 |
Al-Saidi WA, Krakauer H, Zhang S. Auxiliary-field quantum Monte Carlo study of first- and second-row post-d elements. The Journal of Chemical Physics. 125: 154110. PMID 17059242 DOI: 10.1063/1.2357917 |
0.378 |
|
| 2006 |
Al-Saidi WA, Zhang S, Krakauer H. Auxiliary-field quantum Monte Carlo calculations of molecular systems with a Gaussian basis. The Journal of Chemical Physics. 124: 224101. PMID 16784257 DOI: 10.1063/1.2200885 |
0.387 |
|
| 2006 |
Posternak M, Baldereschi A, Walter EJ, Krakauer H. Wannier functions and Born charge tensors of brookite Ti O2 Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.125113 |
0.362 |
|
| 2006 |
Al-Saidi WA, Krakauer H, Zhang S. Auxiliary-field quantum Monte Carlo study of TiO and MnO molecules Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.075103 |
0.407 |
|
| 2005 |
Wu Z, Sághi-Szabó G, Cohen RE, Krakauer H. Erratum: First-Principles Study of Piezoelectricity inPbTiO3[Phys. Rev. Lett. 80, 004321 (1998)] Physical Review Letters. 94. DOI: 10.1103/Physrevlett.94.069901 |
0.514 |
|
| 2005 |
Suewattana M, Krakauer H, Zhang S. Kinetic Monte Carlo simulations of crystal growth in ferroelectric alloys Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.224101 |
0.312 |
|
| 2005 |
Zhang S, Krakauer H, Al-Saidi WA, Suewattana M. Quantum simulations of realistic systems by auxiliary fields Computer Physics Communications. 169: 394-399. DOI: 10.1016/J.Cpc.2005.03.087 |
0.377 |
|
| 2004 |
Cangiani G, Baldereschi A, Posternak M, Krakauer H. Born charge differences of TiO2 polytypes: Multipole expansion of Wannier charge densities Physical Review B - Condensed Matter and Materials Physics. 69: 1211011-1211014. DOI: 10.1103/Physrevb.69.121101 |
0.392 |
|
| 2003 |
Zhang S, Krakauer H. Quantum Monte Carlo method using phase-free random walks with slater determinants. Physical Review Letters. 90: 136401. PMID 12689312 DOI: 10.1103/Physrevlett.90.136401 |
0.363 |
|
| 2003 |
Wu Z, Krakauer H. First-principles calculations of piezoelectricity and polarization rotation in Pb(Zr0.5Ti0.5)O3 Physical Review B - Condensed Matter and Materials Physics. 68: 141121-141127. DOI: 10.1103/Physrevb.68.014112 |
0.377 |
|
| 2001 |
Wu Z, Krakauer H. Charge-transfer electrostatic model of compositional order in perovskite alloys Physical Review B - Condensed Matter and Materials Physics. 63: 1841131-1841138. DOI: 10.1103/Physrevb.63.184113 |
0.328 |
|
| 2000 |
Wensell M, Krakauer H. Comparison of [111] and [001] B-site stacking order in PZN-type relaxor ferroelectrics Journal of Physics and Chemistry of Solids. 61: 309-313. DOI: 10.1016/S0022-3697(99)00299-1 |
0.363 |
|
| 1999 |
Wang CZ, Yu R, Krakauer H. First-principles calculations of phonon dispersion and lattice dynamics in La2CuO4 Physical Review B - Condensed Matter and Materials Physics. 59: 9278-9284. DOI: 10.1103/Physrevb.59.9278 |
0.431 |
|
| 1999 |
Sághi-Szabó G, Cohen RE, Krakauer H. First-principles study of piezoelectricity in tetragonalPbTiO3andPbZr1/2Ti1/2O3 Physical Review B. 59: 12771-12776. DOI: 10.1103/Physrevb.59.12771 |
0.54 |
|
| 1998 |
Sághi-Szabó G, Cohen RE, Krakauer H. First-Principles Study of Piezoelectricity inPbTiO3 Physical Review Letters. 80: 4321-4324. DOI: 10.1103/Physrevlett.80.4321 |
0.488 |
|
| 1998 |
Krakauer H, Yu R, Wang C, Lasota C. Precursor structures in ferroelectrics from first-principles calculations Ferroelectrics. 206: 133-155. DOI: 10.1080/00150199808009156 |
0.364 |
|
| 1998 |
Sághi-szabó G, Cohen RE, Krakauer H. First-principles study of piezoelectricity in tetragonal PbTiO3 Ferroelectrics. 206: 1-10. DOI: 10.1080/00150199808009145 |
0.558 |
|
| 1998 |
Wensell M, Krakauer H. First-principles studies of local order in relaxor ferroelectrics Arxiv: Materials Science. 436: 165-173. DOI: 10.1063/1.56291 |
0.326 |
|
| 1997 |
Posternak M, Baldereschi A, Krakauer H, Resta R. Non-nominal value of the dynamical effective charge in alkaline-earth oxides Physical Review B - Condensed Matter and Materials Physics. 55: R15983-R15986. DOI: 10.1103/Physrevb.55.R15983 |
0.376 |
|
| 1997 |
Lasota C, Wang CZ, Yu R, Krakauer H. Ab initio linear response study of SrTiO3 Ferroelectrics. 194: 109-118. DOI: 10.1080/00150199708016086 |
0.337 |
|
| 1997 |
Wang C, Yu R, Krakauer H. Born effective charges, dielectric constants, and lattice dynamics of KNbO3 Ferroelectrics. 194: 97-107. DOI: 10.1080/00150199708016085 |
0.399 |
|
| 1996 |
Wang C, Yu R, Krakauer H. Polarization dependence of Born effective charge and dielectric constant in KNbO3. Physical Review B. 54: 11161-11168. PMID 9984900 DOI: 10.1103/Physrevb.54.11161 |
0.381 |
|
| 1996 |
Wang CZ, Yu R, Krakauer H. Pressure dependence of Born effective charges, dielectric constant, and lattice dynamics in SiC Physical Review B - Condensed Matter and Materials Physics. 53: 5430-5437. DOI: 10.1103/Physrevb.53.5430 |
0.311 |
|
| 1996 |
Krakauer H, Yu R, Wang CZ. Wavevector dependence of ferroelectric instabilities in KNbO3 Journal of Physics and Chemistry of Solids. 57: 1409-1412. DOI: 10.1016/0022-3697(96)00006-6 |
0.33 |
|
| 1995 |
Yu R, Krakauer H. First-principles determination of chain-structure instability in KNbO3 Physical Review Letters. 74: 4067-4070. DOI: 10.1103/Physrevlett.74.4067 |
0.363 |
|
| 1995 |
Yu R, Wang CZ, Krakauer H. Lattice dynamics of ferroelectrics using the lapw linear response method: Application to knb03 Ferroelectrics. 164: 161-167. DOI: 10.1080/00150199508221838 |
0.42 |
|
| 1995 |
Krakauer H, Yu R, Wang C‐. Ab initio linear response calculations of lattice dynamics using an LAPW basis International Journal of Quantum Chemistry. 56: 131-136. DOI: 10.1002/Qua.560560813 |
0.403 |
|
| 1994 |
Wang CZ, Yu R, Krakauer H. First principles linear response calculations of lattice dynamics for CuCl Physical Review Letters. 72: 368-371. DOI: 10.1103/Physrevlett.72.368 |
0.44 |
|
| 1994 |
Yu R, Krakauer H. Linear-response calculations within the linearized augmented plane-wave method Physical Review B. 49: 4467-4477. DOI: 10.1103/PhysRevB.49.4467 |
0.313 |
|
| 1994 |
Liu AY, Singh DJ, Krakauer H. Linearized-augmented-plane-wave method with Car-Parrinello scaling Physical Review B. 49: 17424-17427. DOI: 10.1103/Physrevb.49.17424 |
0.385 |
|
| 1993 |
Singh DJ, Krakauer H, Haas C, Pickett WE. Theoretical determination that electrons act as anions in the electride Cs+ (15-crown-5)2·e- Nature. 365: 39-42. DOI: 10.1038/365039A0 |
0.346 |
|
| 1993 |
Pickett WE, Krakauer H, Cohen RE. Electron-phonon coupling in high temperature superconductors: The connection to superconducting behavior Applied Superconductivity. 1: 251-262. DOI: 10.1016/0964-1807(93)90236-U |
0.595 |
|
| 1992 |
Yu R, Krakauer H, Singh D. Equilibrium geometry and electronic structure of the low-temperature W(001) surface Physical Review B. 45: 8671-8678. DOI: 10.1103/Physrevb.45.8671 |
0.381 |
|
| 1992 |
Krakauer H, Yu R, Zhang Q, Haas C, Singh D, Liu A. Linear response calculations using lapw and mixed basis methods Ferroelectrics. 136: 105-112. DOI: 10.1080/00150199208016070 |
0.352 |
|
| 1992 |
Cohen RE, Krakauer H. Electronic structure studies of the differences in ferroelectric behavior of batio3 and pbtio3 Ferroelectrics. 136: 65-83. DOI: 10.1080/00150199208016067 |
0.594 |
|
| 1991 |
Pickett WE, Cohen RE, Krakauer H. Lattice instabilities, isotope effect, and high-Tc superconductivity in La2-xBaxCuO4 Physical Review Letters. 67: 228-231. DOI: 10.1103/Physrevlett.67.228 |
0.561 |
|
| 1991 |
Yu R, Singh D, Krakauer H. All-electron and pseudopotential force calculations using the linearized-augmented-plane-wave method Physical Review B. 43: 6411-6422. DOI: 10.1103/Physrevb.43.6411 |
0.435 |
|
| 1991 |
Chen J, Krakauer H, Singh DJ. Surface strain of tungsten (001) Physical Review B. 43: 2398-2400. DOI: 10.1103/Physrevb.43.2398 |
0.325 |
|
| 1991 |
Singh DJ, Pickett WE, Krakauer H. Gradient-corrected density functionals: Full-potential calculations for iron Physical Review B. 43: 11628-11634. DOI: 10.1103/Physrevb.43.11628 |
0.413 |
|
| 1991 |
Boyer LL, Cohen RE, Edwardson PJ, Krakauer H. First principles calculations for polarized crystals Ferroelectrics. 117: 233-243. DOI: 10.1080/00150199108222419 |
0.54 |
|
| 1991 |
Singh DJ, Papaconstantopoulos DA, Krakauer H, Klein BM, Pickett WE. Electronic structure of doped Sr2VO4 Physica C: Superconductivity and Its Applications. 175: 329-334. DOI: 10.1016/0921-4534(91)90605-X |
0.399 |
|
| 1991 |
Pickett WE, Cohen RE, Krakauer H. Electronic structure and electron-phonon coupling in layered copper oxide superconductors Physica B: Physics of Condensed Matter. 169: 45-50. DOI: 10.1016/0921-4526(91)90206-T |
0.598 |
|
| 1990 |
Cohen RE, Pickett WE, Krakauer H. Erratum: First-principles phonon calculations for La 2 CuO 4 [Phys. Rev. lett. 62, 831 (1989)] Physical Review Letters. 64: 3102. DOI: 10.1103/Physrevlett.64.3102 |
0.57 |
|
| 1990 |
Pickett WE, Cohen RE, Krakauer H. Precise band structure and Fermi-surface calculation for YBa2Cu3O7: Importance of three-dimensional dispersion Physical Review B. 42: 8764-8767. DOI: 10.1103/Physrevb.42.8764 |
0.613 |
|
| 1990 |
Cohen RE, Krakauer H. Lattice dynamics and origin of ferroelectricity in BaTiO3: Linearized-augmented-plane-wave total-energy calculations Physical Review B. 42: 6416-6423. DOI: 10.1103/Physrevb.42.6416 |
0.596 |
|
| 1990 |
Cohen RE, Pickett WE, Krakauer H, Papaconstantopoulos DA. High Tc superconductors as ionic metals and the role of phonons in high Tc superconductivity Phase Transitions. 22: 167-183. DOI: 10.1080/01411599008207223 |
0.604 |
|
| 1990 |
Cohen RE, Krakauer H. Linearized augmented plane wave total energy calculations for ferroelectric bati03 Ferroelectrics. 111: 57-61. DOI: 10.1080/00150199008217601 |
0.547 |
|
| 1990 |
Boyer LL, Cohen RE, Krakauer H, Smith WA. First principles calculations for ferroelectrics – a vision Ferroelectrics. 111: 1-7. DOI: 10.1080/00150199008217593 |
0.507 |
|
| 1990 |
Cohen RE, Pickett WE, Krakauer H. Theoretical determination of strong electron-phonon coupling in YBa2Cu3O7 Physical Review Letters. 64: 2575-2578. DOI: 10.1016/S0921-4526(09)80114-2 |
0.558 |
|
| 1990 |
Pickett WE, Krakauer H, Cohen RE. Quasiparticle scattering across the fermi surface in La2-xMxCuO4 Physica B: Condensed Matter. 165: 1055-1056. DOI: 10.1016/S0921-4526(09)80113-0 |
0.567 |
|
| 1990 |
Singh D, Pickett WE, Cohen RE, Papaconstantopoulos DA, Krakauer H. Magnetism in layered oxides: Results from spin density functional calculations Physica B: Physics of Condensed Matter. 163: 470-472. DOI: 10.1016/0921-4526(90)90243-N |
0.579 |
|
| 1990 |
Krakauer H, Cohen RE, Pickett WE. Evidence of strong electron–phonon coupling in the high Tc copper oxide superconductors International Journal of Quantum Chemistry. 38: 693-699. DOI: 10.1002/Qua.560382468 |
0.572 |
|
| 1989 |
Ashkenazi J, Pickett WE, Krakauer H, Wang CS, Klein BM, Chubb SR. Ground state of trans-polyacetylene and the Peierls mechanism. Physical Review Letters. 62: 2016-2019. PMID 10039835 DOI: 10.1103/Physrevlett.62.2016 |
0.315 |
|
| 1989 |
Singh D, Pickett WE, Cohen RE, Krakauer H, Berko S. Positron annihilation in high-Tc superconductors. Physical Review. B, Condensed Matter. 39: 9667-9670. PMID 9947723 DOI: 10.1103/Physrevb.39.9667 |
0.526 |
|
| 1989 |
Cohen RE, Pickett WE, Krakauer H. First-principles phonon calculations for La2CuO4 Physical Review Letters. 62: 831-834. DOI: 10.1103/Physrevlett.62.831 |
0.562 |
|
| 1989 |
Lu ZW, Singh DJ, Krakauer H. Ground-state properties of fcc and bcc lanthanum Physical Review B. 39: 4921-4925. DOI: 10.1103/Physrevb.39.4921 |
0.439 |
|
| 1989 |
Lu ZW, Singh D, Krakauer H. Total-energy study of the equation of state of HgTe and HgSe Physical Review B. 39: 10154-10161. DOI: 10.1103/Physrevb.39.10154 |
0.371 |
|
| 1989 |
Mehl MJ, Cohen RE, Krakauer H. Correction [to “Linearized augmented plane wave electronic structure calculations for MgO and CaO” by M. J. Mehl, R. E. Cohen, and H. Krakauer] Journal of Geophysical Research. 94: 1977. DOI: 10.1029/Jb094Ib02P01977 |
0.539 |
|
| 1989 |
Pickett WE, Singh D, Papaconstantopoulos DA, Krakauer H, Cyrot M, Cyrot-Lackmann F. Theoretical studies of Sr2VO4, a charge conjugate analog of La2CuO4 Physica C: Superconductivity and Its Applications. 162: 1433-1434. DOI: 10.1016/0921-4534(89)90758-2 |
0.409 |
|
| 1989 |
Singh D, Pickett WE, Krakauer H. Electronic structure of CaCuO2, parent of the high-Tc superconductors Physica C: Superconductivity and Its Applications. 162: 1431-1432. DOI: 10.1016/0921-4534(89)90757-0 |
0.426 |
|
| 1989 |
Pickett WE, Krakauer H, Cohen RE, Singh a. Electronic structure of the copper oxides: Band picture versus correlated behavior Physica C: Superconductivity and Its Applications. 162: 1419-1424. DOI: 10.1016/0921-4534(89)90754-5 |
0.524 |
|
| 1989 |
Singh D, Krakauer H. Electronic structure and bonding of the Cu/W(001) surface alloy Surface Science. 216: 303-310. DOI: 10.1016/0039-6028(89)90659-6 |
0.372 |
|
| 1988 |
von Stetten EC, Berko S, Li XS, Lee RR, Brynestad J, Singh D, Krakauer H, Pickett WE, Cohen RE. High sensitivity of positrons to oxygen vacancies and to copper-oxygen chain disorder in YBa2Cu Physical Review Letters. 60: 2198-2201. PMID 10038285 DOI: 10.1103/Physrevlett.60.2198 |
0.537 |
|
| 1988 |
Cohen RE, Pickett WE, Krakauer H. First-Principles Phonon Calculations for LA2CUO4 Mrs Proceedings. 141. DOI: 10.1557/Proc-141-171 |
0.576 |
|
| 1988 |
Krakauer H, Cohen RE, Pickett WE. Electron-Phonon Coupling Strength of Specific Phonons from First Principles Lapw Calculations Mrs Proceedings. 141. DOI: 10.1557/Proc-141-165 |
0.567 |
|
| 1988 |
Cohen RE, Pickett WE, Boyer LL, Krakauer H. Ionic contributions to lattice instabilities and phonon dispersion in La2CuO4 Physical Review Letters. 60: 817-820. DOI: 10.1103/Physrevlett.60.817 |
0.553 |
|
| 1988 |
Krakauer H, Pickett WE. Effect of bismuth on high-Tc cuprate superconductors: Electronic structure of Bi2Sr2CaCu2O8 Physical Review Letters. 60: 1665-1667. DOI: 10.1103/Physrevlett.60.1665 |
0.371 |
|
| 1988 |
Pickett WE, Krakauer H, Allen PB. Smooth Fourier interpolation of periodic functions Physical Review B. 38: 2721-2726. DOI: 10.1103/Physrevb.38.2721 |
0.331 |
|
| 1988 |
Chen J, Singh D, Krakauer H. Local-density description of antiferromagnetic Cr Physical Review B. 38: 12834-12836. DOI: 10.1103/Physrevb.38.12834 |
0.392 |
|
| 1988 |
Allen PB, Pickett WE, Krakauer H. Anisotropic normal-state transport properties predicted and analyzed for high-Tc oxide superconductors Physical Review B. 37: 7482-7490. DOI: 10.1103/Physrevb.37.7482 |
0.4 |
|
| 1988 |
Singh D, Krakauer H. Bonding and reconstruction of the W(001) surface Physical Review B. 37: 3999-4006. DOI: 10.1103/Physrevb.37.3999 |
0.381 |
|
| 1988 |
Chen J, Boyer LL, Krakauer H, Mehl MJ. Elastic constants of NbC and MoN: Instability of B1-MoN Physical Review B. 37: 3295-3298. DOI: 10.1103/Physrevb.37.3295 |
0.345 |
|
| 1988 |
Lu ZW, Singh DJ, Krakauer H. Local-density-approximation study of LaS and SmS Physical Review B. 37: 10045-10049. DOI: 10.1103/Physrevb.37.10045 |
0.44 |
|
| 1988 |
Mehl MJ, Cohen RE, Krakauer H. Linearized augmented plane wave electronic structure calculations for MgO and CaO Journal of Geophysical Research. 93: 8009-8022. DOI: 10.1029/Jb093Ib07P08009 |
0.594 |
|
| 1988 |
Cohen RE, Pickett WE, Krakauer H, Boyer LL. First principles calculations of lattice dynamics and ionicity in La2CuO4 and YBa2Cu3O7 Physica C: Superconductivity and Its Applications. 153: 202-203. DOI: 10.1016/0921-4534(88)90552-7 |
0.593 |
|
| 1988 |
Cohen RE, Pickett WE, Krakauer H, Boyer LL. Applications of ionic models to the high-temperature superconductor La2CuO4 Physica B+C. 150: 61-73. DOI: 10.1016/0378-4363(88)90107-6 |
0.579 |
|
| 1988 |
Krakauer H, Pickett WE, Cohen RE. Analysis of electronic structure and charge density of the high-temperature superconductor YBa2Cu3O7 Journal of Superconductivity. 1: 111-141. DOI: 10.1007/Bf00617955 |
0.627 |
|
| 1988 |
Klein BM, Pickett WE, Cohen RE, Krakauer H, Papaconstantopoulos DA, Allen PB, Boyer LL. Electronic structure and high critical temperature in oxide superconductors Acs Symposium Series. 26-43. |
0.541 |
|
| 1987 |
Pickett WE, Krakauer H, Papaconstantopoulos DA, Boyer LL. Evidence of conventional superconductivity in La-Ba-Cu-O compounds. Physical Review. B, Condensed Matter. 35: 7252-7255. PMID 9941016 DOI: 10.1103/Physrevb.35.7252 |
0.372 |
|
| 1987 |
Papaconstantopoulos DA, Pickett WE, Krakauer H, Boyer LL. Calculations of the Superconducting Properties of Cu–O Based Perovskite-Like Structures Japanese Journal of Applied Physics. 26: 1091-1092. DOI: 10.7567/Jjaps.26S3.1091 |
0.44 |
|
| 1987 |
Cohen RE, Pickett WE, Boyer LL, Krakauer H. Lattice Dynamics and Ionicity in the High-Temperature Superconductors Mrs Proceedings. 99. DOI: 10.1557/Proc-99-825 |
0.6 |
|
| 1987 |
Lu ZW, Singh D, Krakauer H. Equilibrium properties of hcp titanium and zirconium Physical Review B. 36: 7335-7341. DOI: 10.1103/Physrevb.36.7335 |
0.431 |
|
| 1987 |
Allen PB, Pickett WE, Krakauer H. Band-theory analysis of anisotropic transport in La2CuO4-based superconductors Physical Review B. 36: 3926-3929. DOI: 10.1103/Physrevb.36.3926 |
0.341 |
|
| 1987 |
Wang CS, Norman MR, Albers RC, Boring AM, Pickett WE, Krakauer H, Christensen NE. Fermi surface of UPt3 within the local-density approximation Physical Review B. 35: 7260-7263. DOI: 10.1103/PhysRevB.35.7260 |
0.32 |
|
| 1987 |
Pickett WE, Krakauer H, Papaconstantopoulos DA, Boyer LL. Evidence of conventional superconductivity in La-Ba-Cu-O compounds Physical Review B. 35: 7252-7255. DOI: 10.1103/PhysRevB.35.7252 |
0.312 |
|
| 1986 |
Fernando GW, Cooper BR, Ramana MV, Krakauer H, Ma CQ. Practical method for highly accurate large-scale surface calculations. Physical Review Letters. 56: 2299-2302. PMID 10032945 DOI: 10.1103/Physrevlett.56.2299 |
0.416 |
|
| 1986 |
Ma CQ, Ramana MV, Cooper BR, Krakauer H. Practical implementation and remaining problems for the film linearized muffin-tin orbital calculation of surface electronic structure. Physical Review. B, Condensed Matter. 34: 3854-3867. PMID 9940149 DOI: 10.1103/Physrevb.34.3854 |
0.381 |
|
| 1986 |
Singh D, Wei SH, Krakauer H. Instability of the ideal tungsten (001) surface Physical Review Letters. 57: 3292-3295. DOI: 10.1103/Physrevlett.57.3292 |
0.544 |
|
| 1986 |
Singh D, Krakauer H, Wang CS. Accelerating the convergence of self-consistent linearized augmented-plane-wave calculations Physical Review B. 34: 8391-8393. DOI: 10.1103/Physrevb.34.8391 |
0.416 |
|
| 1986 |
Wang CS, Krakauer H, Pickett WE. Unconventional superconductivity and normal-state properties in the heavy fermion superconductor UPt3 Journal of Physics F: Metal Physics. 16. DOI: 10.1088/0305-4608/16/12/003 |
0.308 |
|
| 1985 |
Wang CS, Klein BM, Krakauer H. Theory of magnetic and structural ordering in iron Physical Review Letters. 54: 1852-1855. DOI: 10.1103/Physrevlett.54.1852 |
0.385 |
|
| 1985 |
Wimmer E, Krakauer H, Freeman AJ. Theory of Surface Electronic Structure Advances in Electronics and Electron Physics. 65: 357-434. DOI: 10.1016/S0065-2539(08)60881-1 |
0.55 |
|
| 1985 |
Boyer LL, Krakauer H, Klein BM, Pickett WE, Wang CS. High temperature superconductivity for MoN?: A theoretical study of the relative stability of hexagonal and cubic MoN Physica B+C. 135: 252-256. DOI: 10.1016/0378-4363(85)90478-4 |
0.396 |
|
| 1985 |
Wang CS, Krakauer H, Pickett WE. Electronic structure and mass enhancement of the heavy fermion superconductor UPt3 Physica B+C. 135: 34-37. DOI: 10.1016/0378-4363(85)90428-0 |
0.406 |
|
| 1985 |
Pickett WE, Krakauer H, Wang CS. Electronic structure study of the heavy fermion superconductor UBe13 Physica B+C. 135: 31-33. DOI: 10.1016/0378-4363(85)90427-9 |
0.426 |
|
| 1984 |
Krakauer H. Self-consistent electronic structure of tantalum (001): Evidence for the primary role of surface states in driving reconstructions on tungsten (001) Physical Review B. 30: 6834-6840. DOI: 10.1103/Physrevb.30.6834 |
0.42 |
|
| 1984 |
Posternak M, Krakauer H, Freeman AJ, Koelling DD. Erratum: Self-consistent electronic structure of surfaces: Surface states and surface resonances on W(001) (Physical Review B (1984) 30, 8, (4828)) Physical Review B. 30. DOI: 10.1103/Physrevb.30.4828.2 |
0.481 |
|
| 1984 |
Wimmer E, Freeman AJ, Krakauer H. Magnetism at the Ni(001) surface: A high-precision, all-electron local-spin-density-functional study Physical Review B. 30: 3113-3123. DOI: 10.1103/Physrevb.30.3113 |
0.498 |
|
| 1984 |
Wang D, Freeman AJ, Krakauer H. Electronic structure of the Pt(001) surface with and without an adsorbed gold monolayer Physical Review B. 29: 1665-1673. DOI: 10.1103/Physrevb.29.1665 |
0.491 |
|
| 1984 |
Freeman AJ, Jarlborg T, Krakauer H, Ohnishi S, Wang D-, Wimmer E, Weinert M. Electronic structure and magnetism of surfaces, interfaces and modulated structures (superlattices) Hyperfine Interactions. 18: 413-426. DOI: 10.1007/Bf02064847 |
0.639 |
|
| 1983 |
Krakauer H, Freeman AJ, Wimmer E. Magnetism of the Ni(110) and Ni(100) surfaces: Local-spin-density-functional calculations using the thin-slab linearized augmented-plane-wave method Physical Review B. 28: 610-623. DOI: 10.1103/Physrevb.28.610 |
0.539 |
|
| 1983 |
Freeman A, Krakauer H, Ohnishi S, Wang D, Weinert M, Wimmer E. Magnetism at surfaces and interfaces Journal of Magnetism and Magnetic Materials. 38: 269-272. DOI: 10.1016/0304-8853(83)90367-0 |
0.639 |
|
| 1982 |
Wimmer E, Freeman AJ, Weinert M, Krakauer H, Hiskes JR, Karo AM. Cesiation of W(001): Work function lowering by multiple dipole formation Physical Review Letters. 48: 1128-1131. DOI: 10.1103/Physrevlett.48.1128 |
0.618 |
|
| 1982 |
Umrigar C, Ellis DE, Wang D, Krakauer H, Posternak M. Band structure, intercalation, and interlayer interactions of transition-metal dichalcogenides: TiS2and LiTiS2 Physical Review B. 26: 4935-4950. DOI: 10.1103/Physrevb.26.4935 |
0.392 |
|
| 1982 |
Wang D, Freeman AJ, Krakauer H. Electronic structure and magnetism of Ni overlayers on a Cu(001) substrate Physical Review B. 26: 1340-1351. DOI: 10.1103/Physrevb.26.1340 |
0.509 |
|
| 1982 |
Posternak M, Krakauer H, Freeman AJ. Self-consistent electronic structure of the contracted tungsten (001) surface Physical Review B. 25: 755-761. DOI: 10.1103/Physrevb.25.755 |
0.529 |
|
| 1982 |
Freeman AJ, Wang D, Krakauer H. Magnetism of surfaces and interfaces Journal of Applied Physics. 53: 1997-2001. DOI: 10.1063/1.330687 |
0.53 |
|
| 1982 |
Freeman AJ, Krakauer H, Ohnishi S, Wang D, Weinert M, Wimmer E. MAGNETISM AT SURFACES AND INTERFACES Le Journal De Physique Colloques. 43: C7-167-C7-176. DOI: 10.1051/jphyscol:1982725 |
0.536 |
|
| 1981 |
Weinert M, Wimmer E, Freeman AJ, Krakauer H. Spin-Polarized Band-Structure Determination of theSi2Molecular Ground State by the Method of Full-Potential Linearized Augmented Plane Waves Physical Review Letters. 47: 705-708. DOI: 10.1103/Physrevlett.47.705 |
0.615 |
|
| 1981 |
Wimmer E, Krakauer H, Weinert M, Freeman AJ. Full-potential self-consistent linearized-augmented-plane-wave method for calculating the electronic structure of molecules and surfaces:O2molecule Physical Review B. 24: 864-875. DOI: 10.1103/Physrevb.24.864 |
0.663 |
|
| 1981 |
Wang D, Freemann AJ, Krakauer H. Comment on "Comparison of two self-consistent Al(111) film calculations" Physical Review B. 24: 3614-3615. DOI: 10.1103/Physrevb.24.3614 |
0.383 |
|
| 1981 |
Wang D, Freeman AJ, Krakauer H. Self-consistent electronic band-structure determination of the chemisorption bond length of oxygen on Al(111) Physical Review B. 24: 3104-3107. DOI: 10.1103/Physrevb.24.3104 |
0.471 |
|
| 1981 |
Wang D, Freeman AJ, Krakauer H. Self-consistent electronic structure and chemisorption bonding of oxygen on Al(111) surfaces Physical Review B. 24: 3092-3103. DOI: 10.1103/Physrevb.24.3092 |
0.477 |
|
| 1981 |
Wimmer E, Weinert M, Freeman AJ, Krakauer H. Theoretical2p-core-level shift and crystal-field splitting at the Al(001) surface Physical Review B. 24: 2292-2294. DOI: 10.1103/Physrevb.24.2292 |
0.577 |
|
| 1981 |
Wang D, Freeman AJ, Krakauer H. Surface magnetism of a Ni overlayer on a Cu(001) substrate Physical Review B. 24: 1126-1129. DOI: 10.1103/Physrevb.24.1126 |
0.439 |
|
| 1981 |
Krakauer H, Posternak M, Freeman AJ, Koelling DD. Initial oxidation of the A1(001) surface: Self-consistent electronic structure of clean A1(001) andAl(001)−p(1×1)O Physical Review B. 23: 3859-3876. DOI: 10.1103/Physrevb.23.3859 |
0.543 |
|
| 1981 |
Wang D, Freeman AJ, Krakauer H, Posternak M. Self-consistent linearized-augmented-plane-wave-method determination of electronic structure and surface states on Al(111) Physical Review B. 23: 1685-1691. DOI: 10.1103/Physrevb.23.1685 |
0.512 |
|
| 1981 |
Wang D, Krakauer H, Freeman AJ. Abstract: Magnetism of Ni overlayers on a Cu(001) substrate Journal of Applied Physics. 52: 2502-2502. DOI: 10.1063/1.328981 |
0.415 |
|
| 1981 |
Benesh G, Krakauer H, Ellis D, Posternak M. Na chemisorption on the Al(001) surface Surface Science. 104: 599-608. DOI: 10.1016/0039-6028(81)90081-9 |
0.385 |
|
| 1980 |
Posternak M, Krakauer H, Freeman AJ, Koelling DD. Self-consistent electronic structure of surfaces: Surface states and surface resonances on W(001) Physical Review B. 21: 5601-5612. DOI: 10.1103/Physrevb.21.5601 |
0.548 |
|
| 1980 |
Freeman AJ, Wang CS, Krakauer H, Posternak M. ELECTRONIC STRUCTURE OF SURFACES, SURFACE MAGNETISM AND SURFACE PHASE TRANSITIONS Le Journal De Physique Colloques. 41: C1-39-C1-41. DOI: 10.1051/Jphyscol:1980107 |
0.486 |
|
| 1979 |
Krakauer H, Posternak M, Freeman AJ. Evidence for Possible Electronic Contributions to the W(001) Surface Phase Transition Physical Review Letters. 43: 1885-1889. DOI: 10.1103/Physrevlett.43.1885 |
0.478 |
|
| 1979 |
Krakauer H, Posternak M, Freeman AJ. Linearized augmented plane-wave method for the electronic band structure of thin films Physical Review B. 19: 1706-1719. DOI: 10.1103/Physrevb.19.1706 |
0.563 |
|
| 1978 |
Krakauer H, Posternak M, Freeman AJ. Origin of Surface Resonance States in Nearly-Free-Electron Metals: Al(001) Physical Review Letters. 41: 1072-1075. DOI: 10.1103/Physrevlett.41.1072 |
0.48 |
|
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