Density functional calculations with configuration interaction for the excited states of molecules
- 1 August 1996
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 259 (1-2) , 128-137
- https://doi.org/10.1016/0009-2614(96)00722-1
Abstract
No abstract availableThis publication has 36 references indexed in Scilit:
- Electronic structure calculations on helicenes. Concerning the chirality of helically twisted aromatic systemsChemical Physics, 1996
- Density functional theory: excited states and spin annihilationChemical Physics Letters, 1995
- Density functional theory applied to the excited states of coordination compoundsInternational Journal of Quantum Chemistry, 1994
- A theoretical study of the electronic spectrum of naphthaleneChemical Physics, 1994
- Experimental and theoretical study of the circular dichroism spectra of oxa- and thia- [2.2] metacyclophaneChemical Physics Letters, 1993
- Density-functional thermochemistry. III. The role of exact exchangeThe Journal of Chemical Physics, 1993
- Fully optimized contracted Gaussian basis sets for atoms Li to KrThe Journal of Chemical Physics, 1992
- Toward a systematic molecular orbital theory for excited statesThe Journal of Physical Chemistry, 1992
- Electronic structure calculations on workstation computers: The program system turbomoleChemical Physics Letters, 1989
- On the calculation of multiplet energies by the hartree-fock-slater methodTheoretical Chemistry Accounts, 1977