摘要: The Hartree-Fock pseudoeigenvalues equations have been derived for configuration interaction in the case of two atomic configurations ns2np N and npN+2. A special investigation is between nearly-degenerate 1s22s22p 1s22pN+2. LCAO form has also established.
springer.com
sci-hub.se 参考文章(2)
Self-Consistent Field, Including Exchange and Superposition of Configurations, with Some Results for Oxygen Philosophical Transactions of the Royal Society A. ,vol. 238, pp. 229- 247 ,(1939) , 10.1098/RSTA.1939.0008
C. C. J. Roothaan, Self-Consistent Field Theory for Open Shells of Electronic Systems Reviews of Modern Physics. ,vol. 32, pp. 179- 185 ,(1960) , 10.1103/REVMODPHYS.32.179