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A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
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Cites
Molecular Spectra and Molecular Structure
Huber, K. P., & Herzberg, G. (1979) · Springer eBooks · doi:10.1007/978-1-4757-0961-2 · Cited by 16,094
Handbook of chemistry and physics
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Self-citationSecond-order perturbation theory with a CASSCF reference function
Andersson, K., Malmqvist, P. A., Roos, B. O., Sadlej, A. J., & Wolinski, K. (1990) · The Journal of Physical Chemistry · doi:10.1021/j100377a012 · Cited by 3,331
Self-citationHandbook of chemistry and physics
Milazzo, G. (1961) · Journal of Electroanalytical Chemistry (1959) · doi:10.1016/0022-0728(61)85015-8 · Cited by 2,507
Introduction of n-electron valence states for multireference perturbation theory
Angeli, C., Cimiraglia, R., Evangelisti, S., Leininger, T., & Malrieu, J.-P. (2001) · The Journal of Chemical Physics · doi:10.1063/1.1361246 · Cited by 1,951
MOLCAS: a program package for computational chemistry
Karlström, G., Lindh, R., Malmqvist, P.-Å., Roos, B. O., Ryde, U., Veryazov, V., Widmark, P.-O., Cossi, M., Schimmelpfennig, B., Neogrady, P., et al. (2003) · Computational Materials Science · doi:10.1016/s0927-0256(03)00109-5 · Cited by 1,748
Self-citationRoos, B. O. (1987) · Advances in Chemical Physics · doi:10.1002/9780470142943.ch7 · Cited by 1,574
Self-citationMain Group Atoms and Dimers Studied with a New Relativistic ANO Basis Set
Roos, B. O., Lindh, R., Malmqvist, P.-Å., Veryazov, V., & Widmark, P.-O. (2004) · The Journal of Physical Chemistry A · doi:10.1021/jp031064+ · Cited by 1,514
Self-citationQuantum Mechanical Electronic Structure Calculations with Chemical Accuracy
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Progress and Challenges in the Calculation of Electronic Excited States
González, L., Escudero, D., & Serrano‐Andrés, L. (2012) · ChemPhysChem · doi:10.1002/cphc.201100200 · Cited by 429
Nandy, A., Duan, C., Taylor, M. G., Liu, F., Steeves, A. H., & Kulik, H. J. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00347 · Cited by 358
Neese, F., Petrenko, T., Ganyushin, D., & Olbrich, G. (2007) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2006.05.019 · Cited by 332
Multireference Electron Correlation Methods: Journeys along Potential Energy Surfaces
Park, J. W., Al-Saadon, R., MacLeod, M. K., Shiozaki, T., & Vlaisavljevich, B. (2020) · Chemical Reviews · doi:10.1021/acs.chemrev.9b00496 · Cited by 155
Chemiluminescence of 1,2-Dioxetane. Reaction Mechanism Uncovered
De Vico, L., Liu, Y.-J., Krogh, J. W., & Lindh, R. (2007) · The Journal of Physical Chemistry A · doi:10.1021/jp074063g · Cited by 133
Metadata
- Authors
- Ghigo, G., Roos, B. O., & Malmqvist, P.-Å.
- Venue
- Chemical Physics Letters
- Publisher
- Elsevier BV
- Published
- 2004-09
- Volume
- 396
- Issue
- 1-3
- Pages
- 142-149
- ISSN
- 0009-2614 (ISSN-L)
- OpenAlex
- W2098847222
- Cited by
- 1,051
- References
- 13
- FWCI
- 8.19
- Type
- journal article
- Language
- en
- Open access
- closed
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- Ghigo, G., Roos, B. O., & Malmqvist, P.-Å. (2004). A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2). Chemical Physics Letters. https://doi.org/10.1016/j.cplett.2004.08.032
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