Method of complex molecular orbitals
✍
J. Hendekoviá
📂
Article
📅
1974
🏛
John Wiley and Sons
🌐
English
⚖ 760 KB
## Abstract In the spirit of Löwdin's extended HF scheme, an SCF method for the description of the molecular ground state, based on complex molecular orbitals, is developed. As a special case the method of parity mixing in orbitals is formulated. A calculational procedure for solving derived secula