slater determinant उदाहरण वाक्य
उदाहरण वाक्य
- The wave functions of both electronic states are expanded with Slater determinants or Configuration state functions ( CSF ).
- Applying this adjustment to the above Slater determinant, one determines the following necessary and sufficient condition for Slater permanency:
- Mathematically, " configuration " simply describes the linear combination of Slater determinants used for the wave function.
- Within the Hartree Fock method of quantum chemistry, the antisymmetric wave function is approximated by a single Slater determinant.
- Slater's name is part of the terms Bohr-Kramers-Slater theory, Slater determinant and Slater orbital.
- This ( so called ) " exchange energy " operator, K, is simply an artifact of the Slater determinant.
- In more accurate theories ( such as configuration interaction and MCSCF ), a linear combination of Slater determinants is needed.
- There remains now to determine the components of this Slater determinant, that is, the individual wavefunctions of the nucleons.
- CSFs rather than just Slater determinants can also be used as a basis in multi-configurational self-consistent field computations.
- There are many sophisticated methods for solving the many-body Schr�dinger equation based on the expansion of the wavefunction in Slater determinants.