✦ LIBER ✦

Application of SCF perturbation theory to molecular calculations

✍ Scribed by David P. Santry

Publisher: Springer
Year: 1976
Tongue: English
Weight: 552 KB
Volume: 42
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00548291

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Calculation of molecular geometries by S

Calculation of molecular geometries by SCF perturbation theory

✍ Séamus F. O'Shea; David P. Santry 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 282 KB

Perturbative corrections to basis incomp

Perturbative corrections to basis incompleteness in molecular SCF calculations

✍ Carl S. Ewig; Lidia Smentek-Mielczarek; B. Andes Hess 📂 Article 📅 1989 🏛 Springer 🌐 English ⚖ 664 KB

Application of SCF-perturbation theory t

Application of SCF-perturbation theory to hydrogen bonding in water dimers

✍ Reiner Sustmann; Fritz Vahrenholt 📂 Article 📅 1973 🏛 Springer 🌐 English ⚖ 328 KB

Application of SCF perturbation theory t

Application of SCF perturbation theory to the study of tetrahedrally bonded valence crystals

✍ Masao Hashimoto; David P. Santry 📂 Article 📅 1978 🏛 Springer 🌐 English ⚖ 482 KB

Application of second-order SCF perturba

Application of second-order SCF perturbation theory to the calculation of mixed-frequency hyperpolarizabilities from time-dependent Hartree-Fock theory

✍ David P. Santry; Thomas E. Raidy 📂 Article 📅 1979 🏛 Springer 🌐 English ⚖ 326 KB

Finite-perturbation SCF valence-shell ca

Finite-perturbation SCF valence-shell calculations of molecular polarizability and hyperpolarizability components

✍ N.S. Hush; M.L. Williams 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 460 KB

A finite-perturbation method is used for obtaining approximate valence-shell eigenfunctions of molccules interacting with uniform static electric fields within the frame\vork of unrestricted oper;-shell CNDO/II theory. For a series of axially symmetric molecules, components of the polarizability ten