A study of the use of a steepest descent technique in the solution of the Hartree-Fock equations and its application to selected systems
McWeeny has developed a method which utilizes the steepest descent technique in solving the Hartree-Fock equations. The mathematical development is presented and discussed. The method achieves convergence for several otherwise recalcitrant systems. The following systems are investigated and discuss...
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Others |
| Language: | en |
| Published: |
Virginia Polytechnic Institute and State University
2016
|
| Subjects: | |
| Online Access: | http://hdl.handle.net/10919/70563 |