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The unitary-group formulation of coupled-cluster many-electron theory

✍ Scribed by F. A. Matsen

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
193 KB
Volume
16
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

Spin-Free quantum chemistry. XVIII. The
Spin-Free quantum chemistry. XVIII. The unitary group formulation of the many-electron problem
✍ F. A. Matsen πŸ“‚ Article πŸ“… 1976 πŸ› John Wiley and Sons 🌐 English βš– 555 KB

## Abstract The representation of an __N__‐electron SchrΓΆdinger Hamiltonian on an orthonormal, spin‐free (freon) orbital product space is exactly modeled by a second‐degree polynomial in the infinitesimal generators of the unitary group. Symmetry adaptation of the orbital product space with respect

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✍ Xiangzhu Li; Josef Paldus πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 766 KB

The unitary group based open-shell state specific (SS) coupled-cluster (CC) theory is used to compute energies and ionization potentials for several electronic states of methylene, using a double-zeta plus polarization basis set model. The results are compared with the exact full configuration inter