Anthony D. Dutoi

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Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, BerkeleyVerified email at cchem.berkeley.edu
Lorenz S. CederbaumProfessor of Chemistry, Heidelberg UniversityVerified email at pci.uni-heidelberg.de
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Verified email at utoronto.ca
Andreas DreuwInterdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Heidelberg, GermanyVerified email at uni-heidelberg.de
Joseph SubotnikProfessor of Chemistry, Princeton University, University of PennsylvaniaVerified email at princeton.edu
Matthew GoldeyPostdoctoral Scholar, University of ChicagoVerified email at uchicago.edu
Alberto Herrera-GomezCINVESTAV-Unidad QueretaroVerified email at cinvestav.mx
Jeng-Da Chai (蔡政達)Professor, Department of Physics, National Taiwan UniversityVerified email at phys.ntu.edu.tw
Barry DunietzKent State UniversityVerified email at kent.edu
Anna KrylovProfessor of Chemistry, University of Southern CaliforniaVerified email at usc.edu
Troy Van VoorhisMITVerified email at mit.edu
Gregory BeranDepartment of Chemistry, University of California at RiversideVerified email at ucr.edu
Robert A. DiStasio Jr.Associate Professor, Chemistry and Chemical Biology, Cornell UniversityVerified email at cornell.edu
John M. HerbertProfessor of Chemistry & Biochemistry, Ohio State UniversityVerified email at chemistry.ohio-state.edu

Anthony D. Dutoi

University of the Pacific

Verified email at pacific.edu - Homepage

theoretical chemistry electronic structure theory electron correlation fragment-based methods x-ray spectroscopy


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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	3212	2015
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	3014	2006
Simulated quantum computation of molecular energies A Aspuru-Guzik, AD Dutoi, PJ Love, M Head-Gordon Science 309 (5741), 1704-1707, 2005	1586	2005
Simulated quantum computation of molecular energies A Aspuru-Guzik, AD Dutoi, PJ Love, M Head-Gordon Science 309 (5741), 1704-1707, 2005	1585	2005
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	617	2004
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	134	2006
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	112	2005
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	67	2013
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	67	2005
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	67	2001
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	44	2010
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	40	2010
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	30	2011
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	29	2013
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	24	2008
Time-resolved pump-probe spectroscopy to follow valence electronic motion in molecules: Application AD Dutoi, LS Cederbaum Physical Review A 90 (2), 023414, 2014	22	2014
An Excited Electron Avoiding a Positive Charge AD Dutoi, LS Cederbaum The Journal of Physical Chemistry Letters 2 (18), 2300-2303, 2011	21	2011
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	20	2004
Intensity modulation of the Shirley background of the Cr 3p spectra with photon energies around the Cr 2p edge A Herrera‐Gomez, D Cabrera‐German, AD Dutoi, M Vazquez‐Lepe, ... Surface and Interface Analysis 50 (2), 246-252, 2018	18	2018
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	15	2010

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