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What is Variational Principle and Hartree-Fock Method about?
The variational principle states that the energy computed from any trial wavefunction that does not satisfy the Schrodinger equation is an upper bound to the true ground state energy. Minimizing the energy with respect to all allowed wavefunctions yields the ground state wavefunction and energy. The Hartree-Fock approximation uses a single Slater determinant as a trial wavefunction and applies the variational principle to obtain the Hartree-Fock equations. These equations are solved self-consistently in an
- Author
- 林冠揚
- Language
- EN