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
1592*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
861*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
6472003
General orbital invariant MP2-F12 theory
HJ Werner, TB Adler, FR Manby
The Journal of chemical physics 126 (16), 164102, 2007
4262007
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
4042006
Density fitting in second-order linear-R12 Møller–Plesset perturbation theory
FR Manby
The Journal of chemical physics 119 (9), 4607-4613, 2003
2892003
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
2792006
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
2752012
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
2712004
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
2302003
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
2152004
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
1872010
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
1782012
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
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
1442006
MOLPRO, version 2006.1
HJ Werner, PJ Knowles, R Lindh, FR Manby, M Schütz, P Celani, ...
A package of ab initio programs, 2006
1442006
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
1362004
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Articles 1–20