In molecular systems such as alkali dimers the two-electron wavefunction can bc constructed using a limited number of configurations formed by products of two one-electron orbitals Q of the molecular ion. Starting from numerical values of the wavefunctions $ computed on a grid of points, we propose
โฆ LIBER โฆ
Molecular electronic integrals for cyclic systems
โ Scribed by J. de Heer; R. Pauncz
- Publisher
- Elsevier Science
- Year
- 1961
- Tongue
- English
- Weight
- 492 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0022-2852
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Numerical evaluation of two-electron int
โ
A. Henriet; C. Le Sech; F. Masnou-Seeuws
๐
Article
๐
1989
๐
Elsevier Science
๐
English
โ 262 KB
Path integral formulation for many-elect
โ
H. Kawabe; H. Nagao; K. Nishikawa
๐
Article
๐
1996
๐
John Wiley and Sons
๐
English
โ 740 KB
The Feynman path integral method is applied to the many-electron problem of quantum chemistry. We begin with constructing new closure relations in terms of the linear combination of atomic orbital (LCAO) coefficients and investigate the transition amplitude and the partition function of the system i
Multiobjective molecular design for inte
โ
Athanasios I. Papadopoulos; Patrick Linke
๐
Article
๐
2006
๐
American Institute of Chemical Engineers
๐
English
โ 236 KB
๐ 2 views
Relations for molecular integrals of rel
โ
O. Matsuoka
๐
Article
๐
1973
๐
Elsevier Science
๐
English
โ 142 KB
Approximate upper bound for two-electron
โ
Jฤnos Pipek
๐
Article
๐
1984
๐
Elsevier Science
๐
English
โ 296 KB
Towards Integrated Molecular Electronic
โ
Amr M. Mahmoud; Adam Johan Bergren; Nikola Pekas; Richard L. McCreery
๐
Article
๐
2011
๐
John Wiley and Sons
๐
English
โ 639 KB