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Anthony D. Dutoi, Ph.D.

Affiliations: 
2006 University of California, Berkeley, Berkeley, CA, United States 
Area:
Theoretical Chemistry
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"Anthony Dutoi"
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Martin Head-Gordon grad student 2006 UC Berkeley
 (Novel approaches to solving the electronic Schroedinger equation for molecules.)

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Shao Y, Gan Z, Epifanovsky E, et al. (2015) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215
Goldey M, Dutoi A, Head-Gordon M. (2013) Attenuated second-order Møller-Plesset perturbation theory: performance within the aug-cc-pVTZ basis. Physical Chemistry Chemical Physics : Pccp. 15: 15869-75
Dutoi AD, Cederbaum LS, Wormit M, et al. (2010) Tracing molecular electronic excitation dynamics in real time and space. The Journal of Chemical Physics. 132: 144302
Parkhill JA, Chai JD, Dutoi AD, et al. (2009) The exchange energy of a uniform electron gas experiencing a new, flexible range separation Chemical Physics Letters. 478: 283-286
Dutoi AD, Head-Gordon M. (2008) A study of the effect of attenuation curvature on molecular correlation energies by introducing an explicit cutoff radius into two-electron integrals. The Journal of Physical Chemistry. A. 112: 2110-9
Shao Y, Molnar LF, Jung Y, et al. (2006) Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics : Pccp. 8: 3172-91
Dutoi AD, Head-Gordon M. (2006) Self-interaction error of local density functionals for alkali-halide dissociation Chemical Physics Letters. 422: 230-233
Subotnik JE, Dutoi AD, Head-Gordon M. (2005) Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates. The Journal of Chemical Physics. 123: 114108
Aspuru-Guzik A, Dutoi AD, Love PJ, et al. (2005) Simulated quantum computation of molecular energies. Science (New York, N.Y.). 309: 1704-7
Maslen PE, Dutoi AD, Lee MS, et al. (2005) Accurate local approximations to the triples correlation energy: Formulation, implementation and tests of 5th-order scaling models Molecular Physics. 103: 425-437
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