Configuration interaction in ground stat
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A. Rahman
📂
Article
📅
1957
🏛
Elsevier Science
⚖ 311 KB
T h e energy of t h e g r o u n d s t a t e of t h e h y d r o g e n molecule has been c o m p u t e d using t w o -c e n t r e one electron molecular orbitals to build t h e wave function. These twoc e n t r e orbitals are similar to t h e functions which give very accurate energy values for t h e