✦ LIBER ✦

The expectation value coupled-cluster method and analytical energy derivatives

✍ Scribed by Rodney J. Bartlett; Jozef Noga

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 743 KB
Volume: 150
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(88)80392-0

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Analytical gradients for the coupled-clu

Analytical gradients for the coupled-cluster method

✍ L. Adamowicz; W. D. Laidig; R. J. Bartlett 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 488 KB

Expectation values and density matrices

Expectation values and density matrices in the Coupled-Cluster theory

✍ H. G. Kümmel 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 240 KB

On the calculation of expectation values

On the calculation of expectation values and transition matrix elements by coupled cluster method

✍ M. Durga Prasad 📂 Article 📅 1994 🏛 Springer 🌐 English ⚖ 343 KB

Coupled-cluster theories for the polariz

Coupled-cluster theories for the polarizable continuum model. II. Analytical gradients for excited states of molecular solutes by the equation of motion coupled-cluster method

✍ R. Cammi 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 173 KB

## Abstract The theory for the analytical energy gradients of excited electronic state described by equation of motion couped‐cluster method (EOM‐CC) (Stanton, J Chem Phys, 1993, 99, 8840) has been generalized to molecules in solution within the polarizable continuum model (PCM) framework (Miertuš

Direct calculation of excitation energie

Direct calculation of excitation energies by the coupled-cluster method: Mg and Ar atoms

✍ Uzi Kaldor 📂 Article 📅 1986 🏛 John Wiley and Sons 🌐 English ⚖ 438 KB

An approximation for rotation-projected

An approximation for rotation-projected expectation values of the energy for deformed nuclei and a derivation of the cranking variational equation

✍ A. Kamlah 📂 Article 📅 1968 🏛 Springer 🌐 English ⚖ 571 KB