Concepedia
Chemical Physics · 1997 · 19 citations · 9 references
9
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations
Electron Density, Chemical Thermodynamics, Engineering +13
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
Ansgar Schäfer, Hans W. Horn, Reinhart Ahlrichs · The Journal of Chemical Physics · 1992 · 9.5K citations
Mathematical Programming, Engineering, Gaussian Basis Sets +20
Electronic structure calculations on workstation computers: The program system turbomole
Reinhart Ahlrichs, Michael Bär, Marco Häser et al. · Chemical Physics Letters · 1989 · 8.4K citations
Physical Design (Electronics), Program System Turbomole, Engineering +13
Efficient molecular numerical integration schemes
Oliver Treutler, Reinhart Ahlrichs · The Journal of Chemical Physics · 1995 · 2.5K citations
Numerical Analysis, Method Of Fundamental Solution, Numerical Computation +15
Density functional calculations with configuration interaction for the excited states of molecules
Stefan Grimme · Chemical Physics Letters · 1996 · 225 citations
Excited State Property, Electronic Excited State, Localized Excited State +13