Density matrix in the open shell theory
Journal Article
·
· Int. J. Quant. Chem., v. 9, no. 5, pp. 761-773
All the second-order density matrix spin components for the spin- projected Slater determinant are presented as expansions in direct products of powers of unprojected spin- and residual electron density matrices. Spin components of the second-order transition density matrices between spin-projected Slater determinants built of orthogonal orbitals are also obtained. (auth)
- Research Organization:
- Inst. of Physical Chemistry Donetsk, USSR
- NSA Number:
- NSA-33-024370
- OSTI ID:
- 4055061
- Journal Information:
- Int. J. Quant. Chem., v. 9, no. 5, pp. 761-773, Journal Name: Int. J. Quant. Chem., v. 9, no. 5, pp. 761-773; ISSN IJQCB
- Country of Publication:
- United States
- Language:
- English
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