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Henry F. Schaefer III
Henry F. Schaefer III
Professor of Chemistry, University of Georgia
Verified email at uga.edu - Homepage
Title
Cited by
Cited by
Year
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
30652015
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
29492006
An efficient reformulation of the closed‐shell coupled cluster single and double excitation (CCSD) equations
GE Scuseria, CL Janssen, HF Schaefer Iii
The Journal of Chemical Physics 89 (12), 7382-7387, 1988
18641988
Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)?
GE Scuseria, HF Schaefer III
The Journal of Chemical Physics 90 (7), 3700-3703, 1989
13511989
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ...
Journal of chemical theory and computation 13 (7), 3185-3197, 2017
11852017
An introduction to coupled cluster theory for computational chemists
TD Crawford, HF Schaefer III
Reviews in computational chemistry 14, 33-136, 2007
10342007
On the evaluation of analytic energy derivatives for correlated wave functions
NC Handy, HF Schaefer III
The Journal of chemical physics 81 (11), 5031-5033, 1984
10051984
Extensive theoretical studies of the hydrogen‐bonded complexes (H2O) 2,(H2O) 2H+,(HF) 2,(HF) 2H+, F2H−, and (NH3) 2
MJ Frisch, JE Del Bene, JS Binkley, HF Schaefer
The Journal of chemical physics 84 (4), 2279-2289, 1986
8511986
In pursuit of the ab initio limit for conformational energy prototypes
AG Császár, WD Allen, HF Schaefer III
The Journal of chemical physics 108 (23), 9751-9764, 1998
7761998
A new implementation of the full CCSDT model for molecular electronic structure
GE Scuseria, HF Schaefer III
Chemical physics letters 152 (4-5), 382-386, 1988
7341988
A stable silicon (0) compound with a Si= Si double bond
Y Wang, Y Xie, P Wei, RB King, HF Schaefer III, P von R. Schleyer, ...
Science 321 (5892), 1069-1071, 2008
7252008
The configuration interaction method: Advances in highly correlated approaches
CD Sherrill, HF Schaefer III
Advances in quantum chemistry 34, 143-269, 1999
6811999
PSI4 1.4: Open-source software for high-throughput quantum chemistry
DGA Smith, LA Burns, AC Simmonett, RM Parrish, MC Schieber, ...
The Journal of chemical physics 152 (18), 2020
6232020
A systematic study of molecular vibrational anharmonicity and vibration—rotation interaction by self-consistent-field higher-derivative methods. Asymmetric top molecules
DA Clabo Jr, WD Allen, RB Remington, Y Yamaguchi, HF Schaefer III
Chemical physics 123 (2), 187-239, 1988
5711988
A new dimension to quantum chemistry: analytical derivative methods in ab-initio molecular elctronic structure theory
Y Yamaguchi, Y Osamura, JD Goddard, HF Schaefer III
Oxford University Press, 1994
5571994
The diagonal correction to the Born–Oppenheimer approximation: Its effect on the singlet–triplet splitting of CH2 and other molecular effects
NC Handy, Y Yamaguchi, HF Schaefer III
The Journal of chemical physics 84 (8), 4481-4484, 1986
4961986
Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and application
AC Scheiner, GE Scuseria, JE Rice, TJ Lee, HF Schaefer III
The Journal of chemical physics 87 (9), 5361-5373, 1987
4891987
Methods of electronic structure theory
HF Schaefer
Springer Science & Business Media, 2013
471*2013
Encyclopedia of computational chemistry
PR Schleyer
(No Title), 1998
4531998
The closed‐shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results
GE Scuseria, AC Scheiner, TJ Lee, JE Rice, HF Schaefer III
The Journal of chemical physics 86 (5), 2881-2890, 1987
4371987
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