✦ LIBER ✦

Angular momentum dependence of pseudopotentials: calculation of the potential curve for HF

✍ Scribed by Sid Topiol; Mark A. Ratner; Jules W. Moskowitz

Publisher: Elsevier Science
Year: 1977
Tongue: English
Weight: 338 KB
Volume: 46
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(77)85255-x

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Pseudopotential SCF/CI calculation for t

Pseudopotential SCF/CI calculation for the potential energy curves of the CaHe pair

✍ E. Czuchaj; F. Rebentrost; H. Stoll; H. Preuss 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 623 KB

Potential energy curves for the CaHe system are recalculated using a modified version of the pseudopotential method. Unlike our previous calculations, the CaHe diatomic is now handled as a four-electron system. In the Cl calculation, only the valence electrons of Ca are active, whereas the electrons

A computer program for the calculation o

A computer program for the calculation of angular-momentum coupling coefficients

✍ D.F. Fang; J.F. Shriner Jr. 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 414 KB

The calculation of classical transition

The calculation of classical transition probabilities in atom-molecule collisions for fixed total angular momentum

✍ L.D. Thomas 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 388 KB

Continutation of the Wave Function for H

Continutation of the Wave Function for Higher Angular Momentum States toDDimensions: II. Elimination of Linear Dependencies

✍ M. Dunn; D.K. Watson 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 517 KB

In a previous paper the authors have developed a finite expansion for the wave function which allows the methods of dimensional scaling to be applied to higher angular momentum states. The terms in the expansion, though, are not necessarily linearly independent and so the expansion requires a little

Calculation of the Electronic Spectrum o

Calculation of the Electronic Spectrum of Li2 Using Effective Core Pseudopotentials and l -Dependent Core Polarization Potentials

✍ R. Poteau; F. Spiegelmann 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 308 KB

CAS SCF calculations of potential enregy

CAS SCF calculations of potential enregy curves for the BO− ion

✍ A. Heiberg; J. Almlöf; A.V. Nemukhin 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 422 KB

The oxoborate ion BO-has been investigated at Ihe MC SCF fevel of approximation. using an augmented double-zeta tx~.&-Potenti me3 have been calculated for the three lowest stales. The results are compared to those ohtamed for 80 in a previous, simhu study.