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Overlap integrals ofBfunctions

✍ Scribed by E. Joachim Weniger; E. Otto Steinborn

Book ID: 104791925
Publisher: Springer
Year: 1988
Tongue: English
Weight: 681 KB
Volume: 73
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00527739

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📜 SIMILAR VOLUMES

Molecular Vibrational Overlap Integrals

✍ BENNETT, R. J. M.; SOMERVILLE, W. B. 📂 Article 📅 1969 🏛 Nature Publishing Group 🌐 English ⚖ 168 KB

The calculation of overlap integrals

✍ V. V. Krivitskii; A. G. Khasabov 📂 Article 📅 1970 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 114 KB

Overlap integrals of the sturm functions

✍ D. V. Ponomarenko; A. F. Shestakov 📂 Article 📅 1995 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 149 KB

Matrix Property of Vibrational Overlap I

Matrix Property of Vibrational Overlap Integrals

✍ NICHOLLS, R. W. 📂 Article 📅 1968 🏛 Nature Publishing Group 🌐 English ⚖ 237 KB

Algorithms for computing Franck–Condon o

Algorithms for computing Franck–Condon overlap integrals

✍ Peder Thusgaard Ruhoff; Mark A. Ratner 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 424 KB

In a previous article [Chem. Phys. 1994, 186, 355-374], Ruhoff derived a set of recursion relations for calculating multidimensional Franck-Condon overlap integrals within the harmonic approximation, taking into account the Duschinsky mixing effect. We show here how these relations can be implemente

Recursion formulae for calculation of ov

Recursion formulae for calculation of overlap integrals

✍ N. C. Datta; B. Sen 📂 Article 📅 1987 🏛 John Wiley and Sons 🌐 English ⚖ 314 KB

Multi-( Slater-type orbitals are frequently used in molecular orbital calculations. Master formulae and numerical tables are available in literature for overlap integrals between s, p , and d atomic orbitals up to principal quantum number (n) = 3 and for some other selected quantum numbers. However,