Fragment molecular orbital calculation using the RI-MP2 method
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference48 articles.
1. Coulombic potential energy integrals and approximations
2. Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure
3. On some approximations in applications ofXα theory
4. The impact of the resolution of the identity approximate integral method on modern ab initio algorithm development
5. Integral approximations for LCAO-SCF calculations
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