Approximations can be consistent with the very high accuracy associated with traditional quantum chemistry provided that the approximations are variational. Ε½ . Variational approximations include the linear combination of atomic orbitals LCAO approximation of HartreeαFockαRoothaan theory. In densit
β¦ LIBER β¦
Quantum Dynamics of Complex Molecular Systems
β Scribed by William H. Miller
- Publisher
- John Wiley and Sons
- Year
- 2005
- Weight
- 8 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0931-7597
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