Παρακολούθηση
Marcel Nooijen
Marcel Nooijen
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα uwaterloo.ca
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Παρατίθεται από
Παρατίθεται από
Έτος
Equation of motion coupled cluster method for electron attachment
M Nooijen, RJ Bartlett
The Journal of chemical physics 102 (9), 3629-3647, 1995
6631995
NWChem, A computational chemistry package for parallel computers, version 5.1
EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ...
Pacific Northwest National Laboratory, Richland, Washington 99352, 0999, 2007
5612007
Similarity transformed equation-of-motion coupled-cluster theory: Details, examples, and comparisons
M Nooijen, RJ Bartlett
The Journal of chemical physics 107 (17), 6812-6830, 1997
3681997
A new method for excited states: Similarity transformed equation-of-motion coupled-cluster theory
M Nooijen, RJ Bartlett
The Journal of chemical physics 106 (15), 6441-6448, 1997
3281997
Electron correlation effects on the theoretical calculation of nuclear magnetic resonance spin–spin coupling constants
SA Perera, M Nooijen, RJ Bartlett
The Journal of chemical physics 104 (9), 3290-3305, 1996
3171996
Synthesis of high-performance parallel programs for a class of ab initio quantum chemistry models
G Baumgartner, A Auer, DE Bernholdt, A Bibireata, V Choppella, ...
Proceedings of the IEEE 93 (2), 276-292, 2005
2582005
Coupled cluster Green's function method: Working equations and applications
M Nooijen, JG Snijders
International journal of quantum chemistry 48 (1), 15-48, 1993
2431993
Coupled cluster approach to the single‐particle Green's function
M Nooijen, JG Snijders
International Journal of Quantum Chemistry 44 (S26), 55-83, 1992
2271992
The density matrix renormalization group self-consistent field method: Orbital optimization with the density matrix renormalization group method in the active space
D Zgid, M Nooijen
The Journal of chemical physics 128 (14), 2008
2232008
Description of core‐excitation spectra by the open‐shell electron‐attachment equation‐of‐motion coupled cluster method
M Nooijen, RJ Bartlett
The Journal of chemical physics 102 (17), 6735-6756, 1995
2011995
Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis
S Hirata, M Nooijen, I Grabowski, RJ Bartlett
The Journal of Chemical Physics 114 (9), 3919-3928, 2001
1982001
Combined coupled-cluster and many-body perturbation theories
S Hirata, PD Fan, AA Auer, M Nooijen, P Piecuch
The Journal of chemical physics 121 (24), 12197-12207, 2004
1952004
Similarity transformed equation-of-motion coupled-cluster study of ionized, electron attached, and excited states of free base porphin
M Nooijen, RJ Bartlett
The Journal of chemical physics 106 (15), 6449-6455, 1997
1821997
Second order many‐body perturbation approximations to the coupled cluster Green’s function
M Nooijen, JG Snijders
The Journal of chemical physics 102 (4), 1681-1688, 1995
1771995
Automatic code generation for many-body electronic structure methods: the tensor contraction engine
AA Auer, G Baumgartner, DE Bernholdt, A Bibireata, V Choppella, ...
Molecular Physics 104 (2), 211-228, 2006
1742006
Simplified methods for equation-of-motion coupled-cluster excited state calculations
SR Gwaltney, M Nooijen, RJ Bartlett
Chemical physics letters 248 (3-4), 189-198, 1996
1451996
Reflections on size-extensivity, size-consistency and generalized extensivity in many-body theory
M Nooijen*, KR Shamasundar, D Mukherjee
Molecular Physics 103 (15-16), 2277-2298, 2005
1432005
High-order determinantal equation-of-motion coupled-cluster calculations for electronic excited states
S Hirata, M Nooijen, RJ Bartlett
Chemical Physics Letters 326 (3-4), 255-262, 2000
1412000
Alternative ansätze in single reference coupled‐cluster theory. III. A critical analysis of different methods
PG Szalay, M Nooijen, RJ Bartlett
The Journal of chemical physics 103 (1), 281-298, 1995
1341995
Extended similarity transformed equation-of-motion coupled cluster theory (extended-STEOM-CC): Applications to doubly excited states and transition metal compounds
M Nooijen, V Lotrich
The Journal of Chemical Physics 113 (2), 494-507, 2000
1232000
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