Equation of motion coupled cluster method for electron attachment M Nooijen, RJ Bartlett The Journal of chemical physics 102 (9), 3629-3647, 1995 | 663 | 1995 |
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 | 561 | 2007 |
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 | 368 | 1997 |
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 | 328 | 1997 |
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 | 317 | 1996 |
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 | 258 | 2005 |
Coupled cluster Green's function method: Working equations and applications M Nooijen, JG Snijders International journal of quantum chemistry 48 (1), 15-48, 1993 | 243 | 1993 |
Coupled cluster approach to the single‐particle Green's function M Nooijen, JG Snijders International Journal of Quantum Chemistry 44 (S26), 55-83, 1992 | 227 | 1992 |
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 | 223 | 2008 |
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 | 201 | 1995 |
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 | 198 | 2001 |
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 | 195 | 2004 |
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 | 182 | 1997 |
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 | 177 | 1995 |
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 | 174 | 2006 |
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 | 145 | 1996 |
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 | 143 | 2005 |
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 | 141 | 2000 |
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 | 134 | 1995 |
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 | 123 | 2000 |