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Martin HEAD-GORDON
Martin HEAD-GORDON
Kenneth S. Pitzer Distinguished Professor, University of California, Berkeley
Verified email at cchem.berkeley.edu - Homepage
Title
Cited by
Cited by
Year
Gaussian 98, revision a. 7, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Pittsburgh, PA 12, 1998
212231998
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
99432008
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
82091989
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
50181987
MP2 energy evaluation by direct methods
M Head-Gordon, JA Pople, MJ Frisch
Chemical physics letters 153 (6), 503-506, 1988
30811988
Systematic optimization of long-range corrected hybrid density functionals
JD Chai, M Head-Gordon
The Journal of chemical physics 128 (8), 084106, 2008
30192008
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
27932006
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
26671992
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
26342015
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
26232005
A direct MP2 gradient method
MJ Frisch, M Head-Gordon, JA Pople
Chemical Physics Letters 166 (3), 275-280, 1990
19621990
Gaussian 98, revision A. 7; Gaussian
W Chen, MW Wong, JL Andres, M Head-Gordon, ES Replogle, JA Pople
Inc.: Pittsburgh, PA, 1998
19501998
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
18901989
Time-dependent density functional theory within the Tamm–Dancoff approximation
S Hirata, M Head-Gordon
Chemical Physics Letters 314 (3-4), 291-299, 1999
18201999
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
17492004
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
16552003
Semi-direct algorithms for the MP2 energy and gradient
MJ Frisch, M Head-Gordon, JA Pople
Chemical physics letters 166 (3), 281-289, 1990
14861990
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals
N Mardirossian, M Head-Gordon
Molecular Physics 115 (19), 2315-2372, 2017
13072017
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
12552010
Simulated quantum computation of molecular energies
A Aspuru-Guzik, AD Dutoi, PJ Love, M Head-Gordon
Science 309 (5741), 1704-1707, 2005
10992005
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