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
1554*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
857*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
6422003
General orbital invariant MP2-F12 theory
HJ Werner, TB Adler, FR Manby
The Journal of chemical physics 126 (16), 164102, 2007
4242007
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
4002006
Density fitting in second-order linear-R12 Møller–Plesset perturbation theory
FR Manby
The Journal of chemical physics 119 (9), 4607-4613, 2003
2862003
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
2782006
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
2712012
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
2652004
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
2592002
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
2262003
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
2132004
MOLPRO, version 2010.1, a package of ab initio programs, 2010
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
See http://www. molpro. net, 2010
1882010
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
1742012
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
1712006
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
1562009
MOLPRO, version 2006.1
HJ Werner, PJ Knowles, R Lindh, FR Manby, M Schütz, P Celani, ...
A package of ab initio programs, 2006
1432006
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
1422006
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
1402007
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
1342004
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Articles 1–20