Electronic states of carbon disulphide in the 5.5–11.8 eV region by VUV photo absorption spectroscopy

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 · 98.6K citations

Electron Density, Gradient Expansions, Engineering +14

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.1K citations

Parallel Calculations, Engineering, Detailed Speecup Results +18

Excitation energies in density functional theory: An evaluation and a diagnostic test

M J Peach, Peter Benfield, Trygve Helgaker et al. · The Journal of Chemical Physics · 2008 · 1.4K citations · Full text

Localized Excited State, Engineering, Excitation Energy Transfer +17

Macmolplt: a graphical user interface for GAMESS

Brett Bode, Mark S. Gordon · Journal of Molecular Graphics and Modelling · 1998 · 1.1K citations

Engineering, Visual Interface, Graphical User Interface +9

G. Herzberg: Molecular Spectra and Molecular Structure. III. Electronic Spectra and Electronic Structure of Polyatomic Molecules, D. Van Nostrand, Prinston 1966, 745頁, 16.5×24cm, 8,000円.

みどり 島内 · 日本物理學會誌 · 1968 · 835 citations

Molecular Spectroscopy, Engineering, Physics +10