Anthony D. Dutoi, Ph.D. - Publications

2006 University of California, Berkeley, Berkeley, CA 
Theoretical Chemistry

22 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Shao Y, Gan Z, Epifanovsky E, Gilbert ATB, Wormit M, Kussmann J, Lange AW, Behn A, Deng J, Feng X, Ghosh D, Goldey M, Horn PR, Jacobson LD, Kaliman I, ... ... Dutoi AD, et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215. DOI: 10.1080/00268976.2014.952696  1
2014 Dutoi AD, Cederbaum LS. Time-resolved pump-probe spectroscopy to follow valence electronic motion in molecules: Application Physical Review a - Atomic, Molecular, and Optical Physics. 90. DOI: 10.1103/PhysRevA.90.023414  1
2014 Dutoi AD. Visualising many-body electron dynamics using one-body densities and orbitals Molecular Physics. 112: 1-11. DOI: 10.1080/00268976.2013.845311  1
2013 Goldey M, Dutoi A, Head-Gordon M. Attenuated second-order Møller-Plesset perturbation theory: performance within the aug-cc-pVTZ basis. Physical Chemistry Chemical Physics : Pccp. 15: 15869-75. PMID 23942866 DOI: 10.1039/c3cp51826d  1
2013 Dutoi AD, Gokhberg K, Cederbaum LS. Time-resolved pump-probe spectroscopy to follow valence electronic motion in molecules: Theory Physical Review a - Atomic, Molecular, and Optical Physics. 88. DOI: 10.1103/PhysRevA.88.013419  1
2012 Dutoi AD, Gokhberg K, Cederbaum LS. Time-resolved pump-probe spectroscopy to follow valence electron motion Journal of Physics: Conference Series. 388. DOI: 10.1088/1742-6596/388/2/022072  1
2011 Dutoi AD, Wormit M, Cederbaum LS. Ultrafast charge separation driven by differential particle and hole mobilities. The Journal of Chemical Physics. 134: 024303. PMID 21241095 DOI: 10.1063/1.3506617  1
2011 Dutoi AD, Cederbaum LS. An excited electron avoiding a positive charge Journal of Physical Chemistry Letters. 2: 2300-2303. DOI: 10.1021/jz200887k  1
2010 Dutoi AD, Cederbaum LS, Wormit M, Starcke JH, Dreuw A. Tracing molecular electronic excitation dynamics in real time and space. The Journal of Chemical Physics. 132: 144302. PMID 20405991 DOI: 10.1063/1.3353161  1
2010 Dreuw A, Plötner J, Wormit M, Head-Gordon M, Dean Dutoi A. An additive long-range potential to correct for the charge-transfer failure of time-dependent density functional theory Zeitschrift Fur Physikalische Chemie. 224: 311-324. DOI: 10.1524/zpch.2010.6107  0.88
2010 Ramakrishna S, Sherratt PAJ, Dutoi AD, Seideman T. Origin and implication of ellipticity in high-order harmonic generation from aligned molecules Physical Review a - Atomic, Molecular, and Optical Physics. 81. DOI: 10.1103/PhysRevA.81.021802  1
2009 Parkhill JA, Chai JD, Dutoi AD, Head-Gordon M. The exchange energy of a uniform electron gas experiencing a new, flexible range separation Chemical Physics Letters. 478: 283-286. DOI: 10.1016/j.cplett.2009.07.052  1
2008 Dutoi AD, Head-Gordon M. 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. PMID 18260657 DOI: 10.1021/jp0775956  1
2006 Shao Y, Molnar LF, Jung Y, Kussmann J, Ochsenfeld C, Brown ST, Gilbert AT, Slipchenko LV, Levchenko SV, O'Neill DP, DiStasio RA, Lochan RC, Wang T, Beran GJ, Besley NA, ... ... Dutoi AD, et al. Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics : Pccp. 8: 3172-91. PMID 16902710 DOI: 10.1039/b517914a  1
2006 Dutoi AD, Head-Gordon M. Self-interaction error of local density functionals for alkali-halide dissociation Chemical Physics Letters. 422: 230-233. DOI: 10.1016/j.cplett.2006.02.025  1
2005 Subotnik JE, Dutoi AD, Head-Gordon M. Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates. The Journal of Chemical Physics. 123: 114108. PMID 16392552 DOI: 10.1063/1.2033687  1
2005 Aspuru-Guzik A, Dutoi AD, Love PJ, Head-Gordon M. Simulated quantum computation of molecular energies. Science (New York, N.Y.). 309: 1704-7. PMID 16151006 DOI: 10.1126/science.1113479  1
2005 Maslen PE, Dutoi AD, Lee MS, Shao Y, Head-Gordon M. Accurate local approximations to the triples correlation energy: Formulation, implementation and tests of 5th-order scaling models Molecular Physics. 103: 425-437. DOI: 10.1080/00268970412331319227  1
2004 Jung Y, Lochan RC, Dutoi AD, Head-Gordon M. Scaled opposite-spin second order Møller-Plesset correlation energy: an economical electronic structure method. The Journal of Chemical Physics. 121: 9793-802. PMID 15549852 DOI: 10.1063/1.1809602  1
2004 Dutoi AD, Jung Y, Head-Gordon M. An orbital-based definition of radical and multiradical character Journal of Physical Chemistry A. 108: 10270-10279. DOI: 10.1021/jp0479791  1
2001 See RF, Dutoi AD, McConnell KW, Naylor RM. Geometry of simple molecules: nonbonded interactions, not bonding orbitals, and primarily determine observed geometries. Journal of the American Chemical Society. 123: 2839-48. PMID 11456971 DOI: 10.1021/ja003604b  1
1998 See RF, Dutoi AD, Fettinger JC, Nicastro PJ, Ziller JW. The crystal structures of (p-ClPh)3PO and (p-OMePh)3PO, including an analysis of the P-O bond in triarylphosphine oxides Journal of Chemical Crystallography. 28: 893-898.  1
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