ISSN:
0020-7608
Schlagwort(e):
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
The AGP wave function is used to describe the ground state potential energy curves of Li2 and CH+. Moderate size basis sets are used. The computational aspects of the AGP optimization are discussed and the nature of the AGP wave function versus internuclear separation is examined.
Zusätzliches Material:
8 Ill.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/qua.560230328