✦ LIBER ✦

Direct calculation of the Coulomb matrix: Slater-type orbitals

✍ Scribed by Ignacio Ema; Rafael López; Guillermo Ramírez; Jaime Fernández Rico

Publisher: Springer
Year: 2010
Tongue: English
Weight: 483 KB
Volume: 128
Category: Article
ISSN: 1432-2234
DOI: 10.1007/s00214-010-0771-1

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Matrix elements of the Coulomb Green fun

Matrix elements of the Coulomb Green function between Slater orbitals

✍ Anthony C. Tanner; Bruno Linder 📂 Article 📅 1980 🏛 Springer 🌐 English ⚖ 149 KB

Analytical calculation of two-center Cou

Analytical calculation of two-center Coulomb and hybrid integrals with orbitals of the Slater type

✍ I. I. Guseinov 📂 Article 📅 1977 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 261 KB

Analytical calculation of two-center cou

Analytical calculation of two-center coulomb and hybrid integrals with orbitals of the slater type

✍ I. I. Guseinov 📂 Article 📅 1979 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 134 KB

Calculation of two-center integrals betw

Calculation of two-center integrals between Slater-type orbitals

✍ R. Wojnecki; P. Modrak 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 392 KB

Comprehensive strategy for the calculati

Comprehensive strategy for the calculation of overlap integrals with Slater-type orbitals

✍ Herbert W. Jones 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 141 KB 👁 1 views

A strategy is presented for the calculation of two-center overlap integrals over Slater-type orbitals. Displaced orbitals are expanded in spherical harmonics with Lowdin ␣-functions äs coefficients. The exponentials in the ␣-functions are expanded, leading to representation in terms of stored E and

Calculation of overlap integrals between

Calculation of overlap integrals between slater type orbitals using the fourier transformation

✍ I. I. Guseinov; T. M. Mursalov; F. G. Pashaev; B. A. Mamedov; N. A. Allakhverdie 📂 Article 📅 1989 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 165 KB