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Determination of the size-consistency error in the single and double excitation configuration interaction model

✍ Scribed by Rodney J. Bartlett; Isaiah Shavitt

Book ID: 104579214
Publisher: John Wiley and Sons
Year: 2009
Tongue: English
Weight: 466 KB
Volume: 12
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560120821

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📜 SIMILAR VOLUMES

Determination of the size-consistency er

Determination of the size-consistency error in the single and double excitation configuration interaction model

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The effect of correcting the size-extens

The effect of correcting the size-extensivity error in singles and doubles configuration interaction excitation energies

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Application of the open-shell size-consi

Application of the open-shell size-consistent self-consistent singles and doubles configuration interaction method to multielectronic transitions in photoelectron spectra

✍ J. Pitarch-Ruiz; J. Sánchez-Marín; D. Maynau 📂 Article 📅 2000 🏛 Springer 🌐 English ⚖ 98 KB

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Vertical Excitation Energies and Ionization Potentials of H2S. A Size-Consistent Self-Consistent Singles and Doubles Configuration Interaction (SC)2-MR-SDCI Calculation

✍ Pitarch-Ruiz, José; Sánchez-Marín, José; Martín, Inmaculada; Velasco, Ana María 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 64 KB

A doubles correction to electronic excit

A doubles correction to electronic excited states from configuration interaction in the space of single substitutions

✍ Martin Head-Gordon; Rudolph J. Rico; Manabu Oumi; Timothy J. Lee 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 819 KB

A perturbative correction to the method of configuration interaction with single substitutions (CIS) is presented. This CIS( D) correction approximately introduces the effect of double substitutions which are absent in CIS excited states. CIS (D) is a secondorder perturbation expansion of the couple

The closed-shell coupled cluster single

The closed-shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results

✍ Scuseria, Gustavo E.; Scheiner, Andrew C.; Lee, Timothy J.; Rice, Julia E.; Scha 📂 Article 📅 1987 🏛 American Institute of Physics 🌐 English ⚖ 941 KB