Concepedia
European Polymer Journal · 2019 · 27 citations · 57 references
Open access
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations
Natural Sciences, Chemistry, Physics +17
Density-functional exchange-energy approximation with correct asymptotic behavior
Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations
The influence of polarization functions on molecular orbital hydrogenation energies
P. C. Hariharan, John A. Pople · Theoretical Chemistry Accounts · 1973 · 15.7K citations
Natural Sciences, Chemistry, Physics +14
Electronic structure calculations on workstation computers: The program system turbomole
Reinhart Ahlrichs, Michael Bär, Marco Häser et al. · Chemical Physics Letters · 1989 · 8.5K citations
Computing, Computer Science, High-performance Computing +9
Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements
Michelle Francl, William J. Pietro, Warren J. Hehre et al. · The Journal of Chemical Physics · 1982 · 8.2K citations · Full text
Natural Sciences, Chemistry, Physics +16