## Abstract We describe some details related to a new, general, and efficient implementation of the BSSE‐free SCF and second‐order Møller–Plesset perturbation theories of intermolecular interactions, based on the “Chemical Hamiltonian Approach” (CHA). The program is applicable for both open‐shell a
✦ LIBER ✦
MP2, Tamm-Dancoff, and RPA methods based on the generalized HF solution
✍ Scribed by D. Yamaki; Y. Shigeta; S. Yamanaka; H. Nagao; K. Yamaguchi
- Publisher
- John Wiley and Sons
- Year
- 2000
- Tongue
- English
- Weight
- 257 KB
- Volume
- 80
- Category
- Article
- ISSN
- 0020-7608
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Investigations into the stability of the closed-shell RHF solutions for cyclic polyenes of varying ring size have been carried out in the framework of the spin-UHF and spin-PHF methods employing the PPP approximation. With increasing ring size the lowest eigenvalues from the non-singlet stability pr