Anthony D. Dutoi
Title
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Cited by
Year
Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006
24792006
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
14902015
Simulated quantum computation of molecular energies
A Aspuru-Guzik, AD Dutoi, PJ Love, M Head-Gordon
Science 309 (5741), 1704-1707, 2005
6442005
Simulated quantum computation of molecular energies
A Aspuru-Guzik, AD Dutoi, PJ Love, M Head-Gordon
Science 309 (5741), 1704-1707, 2005
6422005
Scaled opposite-spin second order Møller–Plesset correlation energy: an economical electronic structure method
Y Jung, RC Lochan, AD Dutoi, M Head-Gordon
The Journal of chemical physics 121 (20), 9793-9802, 2004
4422004
Self-interaction error of local density functionals for alkali–halide dissociation
AD Dutoi, M Head-Gordon
Chemical physics letters 422 (1-3), 230-233, 2006
972006
Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates
JE Subotnik, AD Dutoi, M Head-Gordon
The Journal of chemical physics 123 (11), 114108, 2005
922005
Accurate local approximations to the triples correlation energy: formulation, implementation and tests of 5th-order scaling models
PE Maslen, AD Dutoi, MS Lee*, Y Shao, M Head-Gordon
Molecular Physics 103 (2-3), 425-437, 2005
572005
Theoretical investigations of proton-bound cluster ions
P Botschwina, T Dutoi, M Mladenović, R Oswald, S Schmatz, H Stoll
Faraday discussions 118, 433-453, 2001
552001
Attenuated second-order Møller–Plesset perturbation theory: performance within the aug-cc-pVTZ basis
M Goldey, A Dutoi, M Head-Gordon
Physical Chemistry Chemical Physics 15 (38), 15869-15875, 2013
412013
Origin and implication of ellipticity in high-order harmonic generation from aligned molecules
S Ramakrishna, PAJ Sherratt, AD Dutoi, T Seideman
Physical Review A 81 (2), 021802, 2010
342010
Tracing molecular electronic excitation dynamics in real time and space
AD Dutoi, LS Cederbaum, M Wormit, JH Starcke, A Dreuw
The Journal of chemical physics 132 (14), 144302, 2010
312010
A study of the effect of attenuation curvature on molecular correlation energies by introducing an explicit cutoff radius into two-electron integrals
AD Dutoi, M Head-Gordon
The Journal of Physical Chemistry A 112 (10), 2110-2119, 2008
232008
Time-resolved pump-probe spectroscopy to follow valence electronic motion in molecules: Theory
AD Dutoi, K Gokhberg, LS Cederbaum
Physical Review A 88 (1), 013419, 2013
202013
Ultrafast charge separation driven by differential particle and hole mobilities
AD Dutoi, M Wormit, LS Cederbaum
The Journal of chemical physics 134 (2), 024303, 2011
172011
An orbital-based definition of radical and multiradical character
AD Dutoi, Y Jung, M Head-Gordon
J. Phys. Chem. A 108 (46), 10270-10279, 2004
172004
An Excited Electron Avoiding a Positive Charge
AD Dutoi, LS Cederbaum
The Journal of Physical Chemistry Letters 2 (18), 2300-2303, 2011
142011
Time-resolved pump-probe spectroscopy to follow valence electronic motion in molecules: Application
AD Dutoi, LS Cederbaum
Physical Review A 90 (2), 023414, 2014
132014
An additive long-range potential to correct for the charge-transfer failure of time-dependent density functional theory
A Dreuw, J Plötner, M Wormit, M Head-Gordon, AD Dutoi
Zeitschrift für Physikalische Chemie 224 (3-4), 311-324, 2010
122010
Visualising many-body electron dynamics using one-body densities and orbitals
AD Dutoi
Molecular Physics 112 (1), 1-11, 2014
112014
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Articles 1–20