Frederick Manby
TitleCited byYear
Molpro: a general‐purpose quantum chemistry program package
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz
Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (2), 242-253, 2012
1644*2012
MOLPRO, version 2010.1, a package of ab initio programs
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
See http://www.molpro.net, 2010
867*2010
Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations
HJ Werner, FR Manby, PJ Knowles
The Journal of chemical physics 118 (18), 8149-8160, 2003
6512003
General orbital invariant MP2-F12 theory
HJ Werner, TB Adler, FR Manby
The Journal of chemical physics 126 (16), 164102, 2007
4252007
R12 methods in explicitly correlated molecular electronic structure theory
W Klopper, FR Manby, S Ten-No, EF Valeev
International Reviews in Physical Chemistry 25 (3), 427-468, 2006
4062006
Density fitting in second-order linear-R12 Møller–Plesset perturbation theory
FR Manby
The Journal of chemical physics 119 (9), 4607-4613, 2003
2912003
MOLPRO, version 2012.1, a package of ab initio programs
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2012
2872012
High‐accuracy computation of reaction barriers in enzymes
F Claeyssens, JN Harvey, FR Manby, RA Mata, AJ Mulholland, ...
Angewandte Chemie International Edition 45 (41), 6856-6859, 2006
2822006
MOLPRO, version 2006.1, a package of ab initio programs
HJ Werner, PJ Knowles, R Lindh, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2006
2812006
Fast Hartree–Fock theory using local density fitting approximations
R Polly, HJ Werner*, FR Manby, PJ Knowles
Molecular Physics 102 (21-22), 2311-2321, 2004
2742004
MOLPRO, a package of ab initio programs designed by H
RD Amos, A Bernhardsson, A Berning, P Celani, DL Cooper, ...
J. Werner and PJ Knowles, version 2002, 2002
2572002
Linear scaling local coupled cluster theory with density fitting. Part I: 4-external integrals
M Schütz, FR Manby
Physical Chemistry Chemical Physics 5 (16), 3349-3358, 2003
2322003
Analytical energy gradients for local second-order Møller–Plesset perturbation theory using density fitting approximations
M Schütz, HJ Werner, R Lindh, FR Manby
The Journal of chemical physics 121 (2), 737-750, 2004
2172004
A simple, exact density-functional-theory embedding scheme
FR Manby, M Stella, JD Goodpaster, TF Miller III
Journal of chemical theory and computation 8 (8), 2564-2568, 2012
1862012
Local explicitly correlated second-order perturbation theory for the accurate treatment of large molecules
TB Adler, HJ Werner, FR Manby
The Journal of chemical physics 130 (5), 054106, 2009
1602009
Explicitly correlated second-order perturbation theory using density fitting and local approximations
HJ Werner, FR Manby
The Journal of chemical physics 124 (5), 054114, 2006
1432006
Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms
L Maschio, D Usvyat, FR Manby, S Casassa, C Pisani, M Schütz
Physical Review B 76 (7), 075101, 2007
1422007
An explicitly correlated second order Møller-Plesset theory using a frozen Gaussian geminal
AJ May, FR Manby
The Journal of chemical physics 121 (10), 4479-4485, 2004
1352004
Analysis of the errors in explicitly correlated electronic structure theory
AJ May, E Valeev, R Polly, FR Manby
Physical Chemistry Chemical Physics 7 (14), 2710-2713, 2005
1342005
The orbital-specific-virtual local coupled cluster singles and doubles method
J Yang, GKL Chan, FR Manby, M Schütz, HJ Werner
The Journal of chemical physics 136 (14), 144105, 2012
1322012
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Articles 1–20