✦ LIBER ✦

Gaussian Expansions of Orbitals

✍ Scribed by McKemmish, Laura K.; Gill, Peter M. W.

Book ID: 115446179
Publisher: American Chemical Society
Year: 2012
Tongue: English
Weight: 468 KB
Volume: 8
Category: Article
ISSN: 1549-9618
DOI: 10.1021/ct300559t

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📜 SIMILAR VOLUMES

Least-squares Gaussian expansions of ato

Least-squares Gaussian expansions of atomic orbitals

✍ F. R. Burden; R. M. Wilson 📂 Article 📅 1972 🏛 Springer 🌐 English ⚖ 92 KB

Exact Gaussian expansions of Slater-type

Exact Gaussian expansions of Slater-type atomic orbitals

✍ André Severo Pereira Gomes; Rogério Custodio 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 97 KB

## Abstract Three exact Slater‐type function (STO) integral transforms are presented. The STO‐NG basis set can then be developed using either only 1s Gaussian functions, the same Gaussian exponents for each shell, or using the first Gaussian of each symmetry. The use of any of these three alternati

Weighted small gaussian expansions of Sl

Weighted small gaussian expansions of Slater-type atomic orbitals

✍ S. Ehrenson 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 855 KB

Study of Compton profiles using Gaussian

Study of Compton profiles using Gaussian expansions of atomic orbitals

✍ Sharma, B S; Tripathi, A N 📂 Article 📅 1979 🏛 Institute of Physics 🌐 English ⚖ 516 KB

The expansion of hydrogen states in Gaus

The expansion of hydrogen states in Gaussian orbitals

✍ Vebjørn Bakken; Trygve Helgaker 📂 Article 📅 2004 🏛 Springer 🌐 English ⚖ 387 KB

Calculation of molecular momentum distri

Calculation of molecular momentum distributions using gaussian expansions of slater-type atomic orbitals

✍ Anthony C. Tanner; Irving R. Epstein 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 767 KB

Electronic momentum distributions and Compton profGes have been caieutated for a number of small pofyatomic molecuies in the STONG (N=3,4,5,6) approsimation. The gaussian expansions converge rapidly and give acceptable approximations to the corresponding ST0 values for most momentum space properties