| Year |
Citation |
Score |
| 2022 |
Majumdar S, Roy AK. Recent Advances in Cartesian-Grid DFT in Atoms and Molecules. Frontiers in Chemistry. 10: 926916. PMID 35936092 DOI: 10.3389/fchem.2022.926916 |
0.774 |
|
| 2022 |
Roy R, Ghosal A, Roy AK. Charge-Transfer Excitation within a Hybrid-(G)KS Framework through Cartesian Grid DFT. The Journal of Physical Chemistry. A. 126: 1448-1457. PMID 35179901 DOI: 10.1021/acs.jpca.1c10593 |
0.688 |
|
| 2021 |
Roy R, Ghosal A, Roy AK. A simple effective ∆SCF method for computing optical gap in organic chromophores. Chemistry, An Asian Journal. PMID 34331415 DOI: 10.1002/asia.202100692 |
0.702 |
|
| 2021 |
Ghosal A, Gupta T, Mahato K, Roy AK. Excitation energies through Becke’s exciton model within a Cartesian-grid KS DFT Theoretical Chemistry Accounts. 140. DOI: 10.1007/s00214-020-02699-5 |
0.665 |
|
| 2020 |
Majumdar S, Roy AK. Shannon Entropy in Confined He-Like Ions within a Density Functional Formalism Quantum Reports. 2: 189-207. DOI: 10.3390/quantum2010012 |
0.339 |
|
| 2019 |
Ghosal A, Mandal T, Roy AK. Efficient HF exchange evaluation through Fourier convolution in Cartesian grid for orbital-dependent density functionals. The Journal of Chemical Physics. 150: 064104. PMID 30769995 DOI: 10.1063/1.5082393 |
0.709 |
|
| 2019 |
Mukherjee N, Roy AK. Quantum mechanical virial-like theorem for confined quantum systems Physical Review A. 99. DOI: 10.1103/Physreva.99.022123 |
0.356 |
|
| 2019 |
Majumdar S, Mukherjee N, Roy AK. Information entropy and complexity measure in generalized Kratzer potential Chemical Physics Letters. 716: 257-264. DOI: 10.1016/J.Cplett.2018.12.032 |
0.753 |
|
| 2019 |
Mukherjee N, Roy AK. Some complexity measures in confined isotropic harmonic oscillator Journal of Mathematical Chemistry. 57: 1806-1821. DOI: 10.1007/S10910-019-01039-8 |
0.375 |
|
| 2018 |
Mukherjee N, Roy AK. Information-entropic measures for non-zero l states of confined hydrogen-like ions The European Physical Journal D. 72. DOI: 10.1140/Epjd/E2018-90104-1 |
0.392 |
|
| 2018 |
Mukherjee N, Majumdar S, Roy AK. Fisher information in confined hydrogen-like ions Chemical Physics Letters. 691: 449-455. DOI: 10.1016/J.Cplett.2017.11.059 |
0.755 |
|
| 2018 |
Mukherjee N, Roy AK. Relative Fisher information in some central potentials Annals of Physics. 398: 190-202. DOI: 10.1016/J.Aop.2018.09.010 |
0.381 |
|
| 2018 |
Mandal T, Ghosal A, Roy AK. Static polarizability and hyperpolarizability in atoms and molecules through a Cartesian-grid DFT Theoretical Chemistry Accounts. 138. DOI: 10.1007/S00214-018-2397-7 |
0.73 |
|
| 2018 |
Mukherjee N, Roy AK. Fisher information in confined isotropic harmonic oscillator International Journal of Quantum Chemistry. 118: e25727. DOI: 10.1002/Qua.25727 |
0.399 |
|
| 2018 |
Ghosal A, Mandal T, Roy AK. Density functional electric response properties of molecules in Cartesian grid International Journal of Quantum Chemistry. 118. DOI: 10.1002/Qua.25708 |
0.67 |
|
| 2018 |
Mukherjee N, Roy AK. Information-entropic measures in free and confined hydrogen atom International Journal of Quantum Chemistry. 118: e25596. DOI: 10.1002/Qua.25596 |
0.4 |
|
| 2018 |
Mukherjee N, Roy AK. Information-Entropic Measures in Confined Isotropic Harmonic Oscillator Advanced Theory and Simulations. 1: 1800090. DOI: 10.1002/Adts.201800090 |
0.382 |
|
| 2017 |
Majumdar S, Mukherjee N, Roy AK. Various complexity measures in confined hydrogen atom Chemical Physics Letters. 687: 322-329. DOI: 10.1016/J.Cplett.2017.09.036 |
0.749 |
|
| 2016 |
Roy AK. Critical parameters and spherical confinement of H atom in screened Coulomb potential International Journal of Quantum Chemistry. 116: 953-960. DOI: 10.1002/Qua.25108 |
0.367 |
|
| 2016 |
Sadhukhan M, Roy AK, Panigrahi PK, Deb BM. Dynamics of electronic motion in hydrogen atom under parallel strong oscillating magnetic field and intense laser fields International Journal of Quantum Chemistry. 116: 377-387. DOI: 10.1002/Qua.25045 |
0.689 |
|
| 2016 |
Ghosal A, Mukherjee N, Roy AK. Information entropic measures of a quantum harmonic oscillator in symmetric and asymmetric confinement within an impenetrable box Annalen Der Physik. 528: 796-818. DOI: 10.1002/Andp.201600121 |
0.708 |
|
| 2015 |
Roy AK. Quantum confinement in 1D systems through an imaginary-time evolution method Modern Physics Letters A. 30. DOI: 10.1142/S021773231550176X |
0.388 |
|
| 2015 |
Roy AK. Spherical confinement of coulombic systems inside an impenetrable box: H atom and the Hulthén potential International Journal of Quantum Chemistry. 115: 937-947. DOI: 10.1002/Qua.24929 |
0.42 |
|
| 2015 |
Mukherjee N, Roy AK. Quantum confinement in an asymmetric double-well potential through energy analysis and information entropic measure Annalen Der Physik. DOI: 10.1002/Andp.201500301 |
0.395 |
|
| 2014 |
Roy AK. Confinement in 3D polynomial oscillators through a generalized pseudospectral method Modern Physics Letters A. 29. DOI: 10.1142/S0217732314501041 |
0.385 |
|
| 2014 |
Roy AK. Studies on bound-state spectra of Manning-Rosen potential Modern Physics Letters A. DOI: 10.1142/S0217732314500424 |
0.429 |
|
| 2014 |
Roy AK. Ground and excited states of spherically symmetric potentials through an imaginary-time evolution method: Application to spiked harmonic oscillators Journal of Mathematical Chemistry. 52: 2645-2662. DOI: 10.1007/S10910-014-0407-0 |
0.424 |
|
| 2014 |
Roy AK. Ro-vibrational spectroscopy of molecules represented by a Tietz-Hua oscillator potential Journal of Mathematical Chemistry. 52: 1405-1413. DOI: 10.1007/S10910-014-0319-Z |
0.402 |
|
| 2014 |
Roy AK. Studies on the Bound-State Spectrum of Hyperbolic Potential Few-Body Systems. 55: 143-150. DOI: 10.1007/S00601-013-0767-1 |
0.42 |
|
| 2014 |
Roy AK. Ro-vibrational studies of diatomic molecules in a shifted Deng-Fan oscillator potential International Journal of Quantum Chemistry. 114: 383-391. DOI: 10.1002/Qua.24575 |
0.443 |
|
| 2013 |
Roy AK. Accurate ro-vibrational spectroscopy of diatomic molecules in a Morse oscillator potential Results in Physics. 3: 103-108. DOI: 10.1016/J.Rinp.2013.06.001 |
0.461 |
|
| 2013 |
Roy AK. Studies on some exponential-screened coulomb potentials International Journal of Quantum Chemistry. 113: 1503-1510. DOI: 10.1002/Qua.24351 |
0.392 |
|
| 2011 |
Roy AK. Density functional calculation of many-electron systems in Cartesian coordinate grid Journal of Mathematical Chemistry. 49: 1687-1699. DOI: 10.1007/S10910-011-9851-2 |
0.475 |
|
| 2008 |
Jalbout AF, Roy A, Leon Ad, Jiménez-Fabián I. Metallo[Endo]fullerene–SWNT interactions: A theoretical study Journal of Molecular Structure: Theochem. 858: 39-45. DOI: 10.1016/J.Theochem.2008.02.026 |
0.332 |
|
| 2008 |
Roy AK, Jalbout AF. Bound states of the generalized spiked harmonic oscillator Journal of Molecular Structure: Theochem. 853: 27-32. DOI: 10.1016/J.Theochem.2007.12.006 |
0.445 |
|
| 2008 |
Roy AK. Pseudopotential density functional treatment of atoms and molecules in cartesian coordinate grid Chemical Physics Letters. 461: 142-149. DOI: 10.1016/J.Cplett.2008.06.076 |
0.441 |
|
| 2008 |
Roy AK, Jalbout AF, Proynov EI. Accurate calculation of the bound states of Hellmann potential Journal of Mathematical Chemistry. 44: 260-269. DOI: 10.1007/S10910-007-9308-9 |
0.469 |
|
| 2008 |
Roy AK, Jalbout AF, Proynov EI. Bound state spectra of the 3D rational potential International Journal of Quantum Chemistry. 108: 827-836. DOI: 10.1002/Qua.21571 |
0.453 |
|
| 2008 |
Roy AK. Grid-based density functional calculations of many-electron systems International Journal of Quantum Chemistry. 108: 837-847. DOI: 10.1002/Qua.21570 |
0.455 |
|
| 2008 |
Jalbout AF, Roy AK, Shipar AH, Ahmed MS. Density functional computational studies on the glucose and glycine Maillard reaction: Formation of the Amadori rearrangement products International Journal of Quantum Chemistry. 108: 589-597. DOI: 10.1002/Qua.21438 |
0.311 |
|
| 2007 |
Roy AK, Jalbout AF. Ground and excited states of Li−, Be− through a density-based approach Chemical Physics Letters. 445: 355-360. DOI: 10.1016/J.Cplett.2007.08.010 |
0.352 |
|
| 2007 |
Roy AK, Hart JR, Thakkar AJ. Clusters of glycolic acid and 16 water molecules Chemical Physics Letters. 434: 176-181. DOI: 10.1016/J.Cplett.2006.12.010 |
0.548 |
|
| 2006 |
Sen K, Roy AK. Studies on the 3D confined potentials using generalized pseudospectral approach Physics Letters A. 357: 112-119. DOI: 10.1016/J.Physleta.2006.04.039 |
0.375 |
|
| 2005 |
Roy AK, Hu S, Thakkar AJ. Clusters of glycolic acid with three to six water molecules. The Journal of Chemical Physics. 122: 074313. PMID 15743238 DOI: 10.1063/1.1851974 |
0.554 |
|
| 2005 |
Roy AK. Density functional studies on the hollow resonances in the Li-isoelectronic sequence (Z = 4-10) Journal of Physics B: Atomic, Molecular and Optical Physics. 38: 1591-1605. DOI: 10.1088/0953-4075/38/11/002 |
0.379 |
|
| 2005 |
Roy AK, Thakkar AJ, Deb BM. Low-lying states of two-dimensional double-well potentials Journal of Physics a: Mathematical and General. 38: 2189-2199. DOI: 10.1088/0305-4470/38/10/010 |
0.588 |
|
| 2005 |
Roy AK, Thakkar AJ. Pentamers of formic acid Chemical Physics. 312: 119-126. DOI: 10.1016/J.Chemphys.2004.11.030 |
0.554 |
|
| 2005 |
Roy AK. The generalized pseudospectral approach to the bound states of the Hulthén and the Yukawa potentials Pramana. 65: 1-15. DOI: 10.1007/Bf02704371 |
0.443 |
|
| 2005 |
Roy AK. Studies on some singular potentials in quantum mechanics International Journal of Quantum Chemistry. 104: 861-870. DOI: 10.1002/Qua.20608 |
0.42 |
|
| 2004 |
Roy AK. Calculation of the bound states of power-law and logarithmic potentials through a generalized pseudospectral method Journal of Physics G: Nuclear and Particle Physics. 30: 269-278. DOI: 10.1088/0954-3899/30/3/003 |
0.405 |
|
| 2004 |
Roy AK. Studies on the hollow states of atomic lithium using a density functional approach Journal of Physics B: Atomic, Molecular and Optical Physics. 37: 4369-4386. DOI: 10.1088/0953-4075/37/21/010 |
0.439 |
|
| 2004 |
Roy AK. Calculation of the spiked harmonic oscillators through a generalized pseudospectral method Physics Letters, Section a: General, Atomic and Solid State Physics. 321: 231-238. DOI: 10.1016/J.Physleta.2003.12.037 |
0.428 |
|
| 2004 |
Roy AK, Thakkar AJ. Formic acid tetramers: A structural study Chemical Physics Letters. 393: 347-354. DOI: 10.1016/J.Cplett.2004.06.067 |
0.569 |
|
| 2004 |
Roy AK, Thakkar AJ. Structures of the formic acid trimer Chemical Physics Letters. 386: 162-168. DOI: 10.1016/J.Cplett.2004.01.031 |
0.578 |
|
| 2003 |
Wadehra A, Roy AK, Deb BM. Ground and excited states of one-dimensional self-interacting nonlinear oscillators through time-dependent quantum mechanics International Journal of Quantum Chemistry. 91: 597-606. DOI: 10.1002/Qua.10472 |
0.425 |
|
| 2002 |
Roy AK, Chu S. Density-functional calculations on singly and doubly excited Rydberg states of many-electron atoms Physical Review A. 65: 52508. DOI: 10.1103/Physreva.65.052508 |
0.64 |
|
| 2002 |
Roy AK, Chu S. Quantum-fluid-dynamics approach for strong-field processes: Application to the study of multiphoton ionization and high-order harmonic generation of He and Ne atoms in intense laser fields Physical Review A. 65: 43402. DOI: 10.1103/Physreva.65.043402 |
0.602 |
|
| 2002 |
Roy AK, Chu SI. Quantum fluid dynamics approach for electronic structure calculation: Application to the study of ground-state properties of rare gas atoms Journal of Physics B: Atomic, Molecular and Optical Physics. 35: 2075-2086. DOI: 10.1088/0953-4075/35/9/306 |
0.617 |
|
| 2002 |
Roy AK, Thakkar AJ. MacLaurin expansions of electron momentum densities for 78 diatomic molecules: A numerical Hartree-Fock study Chemical Physics Letters. 362: 428-434. DOI: 10.1016/S0009-2614(02)01101-6 |
0.579 |
|
| 2002 |
Gupta N, Roy AK, Deb BM. One dimensional multiple-well oscillators: A time-dependent quantum mechanical approach Pramana. 59: 1076-1076. DOI: 10.1007/S12043-002-0159-4 |
0.428 |
|
| 2001 |
Roy AK, Gupta N, Deb BM. Time-dependent quantum-mechanical calculation of ground and excited states of anharmonic and double-well oscillators Physical Review A. 65. DOI: 10.1103/Physreva.65.012109 |
0.437 |
|
| 1999 |
Roy AK, Dey BK, Deb B. Direct calculation of ground-state electronic densities and properties of noble gas atoms through a single time-dependent hydrodynamical equation Chemical Physics Letters. 308: 523-531. DOI: 10.1016/S0009-2614(99)00612-0 |
0.385 |
|
| 1998 |
Singh R, Roy AK, Deb B. Density functional calculations on low-lying singly excited states of open-shell atoms Chemical Physics Letters. 296: 530-536. DOI: 10.1016/S0009-2614(98)01031-8 |
0.464 |
|
| 1998 |
Roy AK, Deb B. Density functional calculations on neon satellites Chemical Physics Letters. 292: 461-466. DOI: 10.1016/S0009-2614(98)00720-9 |
0.418 |
|
| 1997 |
Roy AK, Singh R, Deb BM. Density-functional calculations for doubly excited states of He, and Journal of Physics B: Atomic, Molecular and Optical Physics. 30: 4763-4782. DOI: 10.1088/0953-4075/30/21/014 |
0.461 |
|
| 1997 |
Roy AK, Deb B. Atomic inner-shell transitions: a density functional approach Physics Letters A. 234: 465-471. DOI: 10.1016/S0375-9601(97)00502-1 |
0.449 |
|
| 1997 |
Roy AK, Singh R, Deb BM. Density functional calculations on triply excited states of lithium isoelectronic sequence International Journal of Quantum Chemistry. 65: 317-332. DOI: 10.1002/(Sici)1097-461X(1997)65:4<317::Aid-Qua4>3.0.Co;2-Z |
0.45 |
|
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