A Model for Selective Ion Adsorption Including van der Waals Interaction
β Scribed by Igarashi, R. N.; Pereira, H. A.; Lenzi, E. K.; Evangelista, L. R.
- Book ID
- 120593404
- Publisher
- American Chemical Society
- Year
- 2008
- Tongue
- English
- Weight
- 107 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0022-3654
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π SIMILAR VOLUMES
It is demonstrated on the example of He2 that the W-I der \Vs& energy can b: ca!cullted quit? xcurately by the multistructure valence-bond method usin\_s n relatively simple "aEfec;ive excited sb!e" mode!. A simplified procedure for oprimiation of the excited stare orbita!s, bssed on ~vork by hfurre
Rayleigh-Schr6dinger perturbation theory including exchange based upon an unpartitioned Hamiltonian and properly symmetrized vs has been applied to the ground and the first excited state of the hydrogen molecule ion. Expansion of the first-order function in terms of two-centre linear pseudostates in