A new open-shell perturbation theory is formulated in terms of symmetric spin orbitals. Only one set of spatial orbitals is required, thereby reducing the number of independent coeffmients in the perturbed wavefunctions. For second order, the computational cost is shown to be similar to a closed-she
✦ LIBER ✦
Many-body perturbation theory with a restricted open-shell Hartree—Fock reference
✍ Scribed by Walter J. Lauderdale; John F. Stanton; Jürgen Gauss; John D. Watts; Rodney J. Bartlett
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 550 KB
- Volume
- 187
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
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