A comparison of Hartree?Fock, MP2, and DFT results for the HCN dimer and crystal
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference32 articles.
1. The crystal structures of hydrogen cyanide, HCN
2. and Modern Quantum Chemistry; Introduction to Advanced Electronic Structure Theory, 1st ed. (McGraw-Hill, New York, 1982).
3. A systematic comparison of molecular properties obtained using Hartree–Fock, a hybrid Hartree–Fock density‐functional‐theory, and coupled‐cluster methods
4. Kohn—Sham bond lengths and frequencies calculated with accurate quadrature and large basis sets
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