The calculation of the correlation energy in ground and excited states: the n-electron valence state perturbation theory approach.
Cimiraglia, Renzo; Angeli, Celestino
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Simos, TE; Maroulis, G,
International Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007
Vol. 963, No. 2, pp: 599-602, Anno: 2007 |
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The treatment of electronically excited states with multireference perturbation theory
Cimiraglia, Renzo
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Societa` Chimica Italiana, Divisione di Chimica Fisica,
Complex Systems: structure, properties, reactivity and dynamics.
pp: 30-30, Anno: 2005 |
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Developments in the n-electron valence state perturbation theory
Angeli, Celestino; Borini, Stefano; Cestari, M.; Cimiraglia, Renzo
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Thierry Leininger and Sophie Hoyau,
5-th european conference on computational chemistry
pp: 42-42, Anno: 2004 |
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NEVPT2 perturbation theory: applications to valence and Rydberg excited states of formaldehyde.
Angeli, Celestino; Borini, Stefano; Cimiraglia, Renzo; Ferrighi, L.
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Societa` Chimica Italiana,
Dal calcolo della truttura elettronica alla bioinformatica
pp: 31-31, Anno: 2003 |
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Study of homonuclear diatomic molecules containing multiple bonds using the NEV-PT perturbation theory.
Angeli, Celestino; Cimiraglia, Renzo
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E. Majorana Centre for Scientific Culture,
New Challenges in Computational Modeling: techniques for processes, molecular systems and anisotropic materials.
pp: 16-16, Anno: 2001 |
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Applicazione della n-electron valence state perturbation theory (NEV-PT).
Angeli, Celestino; Cimiraglia, Renzo
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Universites de Toulouse et Pou,
27-eme congres des chimistes theoriciens d'expression latine
pp: 51-51, Anno: 2001 |
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Problems and projects in multireference perturbation CI
Angeli, Celestino; Cimiraglia, Renzo
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CNR, Universita` di Milano-Bicocca.,
Sistemi complessi: struttura, proprieta`, reattivita` e dinamica
pp: 171-173, Anno: 1999 |
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