Theo dõi
Daniel Kats
Tiêu đề
Trích dẫn bởi
Trích dẫn bởi
Năm
MOLPRO, version 2015.1, a package of ab initio programs
HJ Werner, PJ Knowles, G Knizia, FR Manby, M Schütz, P Celani, ...
See http://www.molpro.net, 2015
2823*2015
The Molpro quantum chemistry package
HJ Werner, PJ Knowles, FR Manby, JA Black, K Doll, A Heßelmann, ...
The Journal of chemical physics 152 (14), 2020
9952020
Local CC2 electronic excitation energies for large molecules with density fitting
D Kats, T Korona, M Schütz
The Journal of chemical physics 125 (10), 2006
2052006
Local approximations for an efficient and accurate treatment of electron correlation and electron excitations in molecules
T Korona, D Kats, M Schütz, TB Adler, Y Liu, HJ Werner
Linear-Scaling Techniques in Computational Chemistry and Physics: Methods …, 2011
174*2011
Communication: The distinguishable cluster approximation
D Kats, FR Manby
The Journal of chemical physics 139 (2), 2013
1392013
A multistate local coupled cluster CC2 response method based on the Laplace transform
D Kats, M Schütz
The Journal of chemical physics 131 (12), 2009
1322009
Transition strengths and first-order properties of excited states from local coupled cluster CC2 response theory with density fitting
D Kats, T Korona, M Schütz
The Journal of chemical physics 127 (6), 2007
1222007
Local complete active space second-order perturbation theory using pair natural orbitals (PNO-CASPT2)
F Menezes, D Kats, HJ Werner
The Journal of Chemical Physics 145 (12), 2016
1062016
Local CC2 response method for triplet states based on Laplace transform: Excitation energies and first-order properties
K Freundorfer, D Kats, T Korona, M Schütz
The Journal of chemical physics 133 (24), 2010
832010
On the use of the Laplace transform in local correlation methods
D Kats, D Usvyat, M Schütz
Physical Chemistry Chemical Physics 10 (23), 3430-3439, 2008
802008
Sparse tensor framework for implementation of general local correlation methods
D Kats, FR Manby
The Journal of Chemical Physics 138 (14), 2013
762013
Role of valence and semicore electron correlation on spin gaps in Fe (II)-porphyrins
G Li Manni, D Kats, DP Tew, A Alavi
Journal of chemical theory and computation 15 (3), 1492-1497, 2019
742019
Accurate thermochemistry from explicitly correlated distinguishable cluster approximation
D Kats, D Kreplin, HJ Werner, FR Manby
The Journal of chemical physics 142 (6), 2015
742015
Communication: The distinguishable cluster approximation. II. The role of orbital relaxation
D Kats
The Journal of chemical physics 141 (6), 2014
732014
Embedded multireference coupled cluster theory
DJ Coughtrie, R Giereth, D Kats, HJ Werner, A Köhn
Journal of Chemical Theory and Computation 14 (2), 693-709, 2018
452018
The distinguishable cluster approach from a screened Coulomb formalism
D Kats
The Journal of Chemical Physics 144 (4), 2016
442016
Towards efficient and accurate ab initio solutions to periodic systems via transcorrelation and coupled cluster theory
K Liao, T Schraivogel, H Luo, D Kats, A Alavi
Physical Review Research 3 (3), 033072, 2021
412021
Application of Hermitian time-dependent coupled-cluster response Ansätze of second order to excitation energies and frequency-dependent dipole polarizabilities
G Wälz, D Kats, D Usvyat, T Korona, M Schütz
Physical Review A—Atomic, Molecular, and Optical Physics 86 (5), 052519, 2012
392012
FCIQMC-tailored distinguishable cluster approach
E Vitale, A Alavi, D Kats
Journal of Chemical Theory and Computation 16 (9), 5621-5634, 2020
382020
Local CC2 response method based on the Laplace transform: Orbital-relaxed first-order properties for excited states
K Ledermüller, D Kats, M Schütz
The Journal of Chemical Physics 139 (8), 2013
382013
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