Kenneth S. Pitzer Distinguished Professor, University of California, Berkeley
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TitleCited byYear
MJ Frisch
http://www. gaussian. com/, 2009
A fifth-order perturbation comparison of electron correlation theories
K Raghavachari, GW Trucks, JA Pople, M Head-Gordon
Chemical Physics Letters 157 (6), 479-483, 1989
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
JD Chai, M Head-Gordon
Physical Chemistry Chemical Physics 10 (44), 6615-6620, 2008
Quadratic configuration interaction. A general technique for determining electron correlation energies
JA Pople, M Head‐Gordon, K Raghavachari
The Journal of chemical physics 87 (10), 5968-5975, 1987
Gaussian 03 Pocket Reference
AE Frisch, MJ Frisch
Gaussian, Incorporated, 2003
MP2 energy evaluation by direct methods
M Head-Gordon, JA Pople, MJ Frisch
Chemical Physics Letters 153 (6), 503-506, 1988
Toward a systematic molecular orbital theory for excited states
JB Foresman, M Head-Gordon, JA Pople, MJ Frisch
The Journal of Physical Chemistry 96 (1), 135-149, 1992
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
Single-reference ab initio methods for the calculation of excited states of large molecules
A Dreuw, M Head-Gordon
Chemical reviews 105 (11), 4009-4037, 2005
Systematic optimization of long-range corrected hybrid density functionals
JD Chai, M Head-Gordon
The Journal of chemical physics 128 (8), 084106, 2008
Gaussian 98, revision A. 7; Gaussian
W Chen, MW Wong, JL Andres, M Head-Gordon, ES Replogle, JA Pople
Inc.: Pittsburgh, PA, 1998
Gaussian‐1 theory: A general procedure for prediction of molecular energies
JA Pople, M Head‐Gordon, DJ Fox, K Raghavachari, LA Curtiss
The Journal of Chemical Physics 90 (10), 5622-5629, 1989
A direct MP2 gradient method
MJ Frisch, M Head-Gordon, JA Pople
Chemical Physics Letters 166 (3), 275-280, 1990
Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments
JA Pople, M Gordon
Journal of the American Chemical Society 89 (17), 4253-4261, 1967
Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange
A Dreuw, JL Weisman, M Head-Gordon
The Journal of chemical physics 119 (6), 2943-2946, 2003
Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin− bacteriochlorin and bacteriochlorophyll− spheroidene …
A Dreuw, M Head-Gordon
Journal of the American Chemical Society 126 (12), 4007-4016, 2004
Semi-direct algorithms for the MP2 energy and gradient
MJ Frisch, M Head-Gordon, JA Pople
Chemical physics letters 166 (3), 281-289, 1990
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
Time-dependent density functional theory within the Tamm–Dancoff approximation
S Hirata, M Head-Gordon
Chemical Physics Letters 314 (3-4), 291-299, 1999
Current status of the AMOEBA polarizable force field
JW Ponder, C Wu, P Ren, VS Pande, JD Chodera, MJ Schnieders, ...
The journal of physical chemistry B 114 (8), 2549-2564, 2010
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