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Quantum Chemistry without Wave Functions: Two-Electron Reduced Density Matrices

✍ Scribed by Mazziotti, David A.


Book ID
120542989
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
176 KB
Volume
39
Category
Article
ISSN
0001-4842

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3,5-contracted SchrΓΆdinger equation: Det
✍ David A. Mazziotti πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 351 KB πŸ‘ 1 views

Through the 3,5-contracted Schrodinger equation 3,5-CSchE quantum Β¨Ε½ . energies and 3-particle reduced density matrices 3-RDMs are determined directly without wave functions. Since the 3,5-CSchE involves the 5-RDM, its solution is indeterminate without N-representability conditions. However, the ind