✦ LIBER ✦
Multireference self-consistent size-consistent configuration interaction method. A few applications to ground and excited states
✍ Scribed by J. Meller; J.P. Malrieu; J.L. Heully
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 592 KB
- Volume
- 244
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The state-specific self-consistent dressing of a multireference C! matrix and a simplified scheme of MRCEPA(0) type are tested on a series of benchmark problems (H a, H20, CH~). The method is demonstrated to be strictly separable provided that the reference space is separable (i.e. it contains all products of localized reference states). The content of the method and its results are compared to those of other size-consistent multireference schemes.