Abstract
A computationally simple method for molecular excited states, namely, the Tamm-Dancoff approximation to time-dependent density functional theory, is proposed and implemented. This method yields excitation energies for several closed- and open-shell molecules that are essentially of the same quality as those obtained from time-dependent density functional theory itself, when the same exchange-correlation functional is used.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 291-299 |
| Number of pages | 9 |
| Journal | Chemical Physics Letters |
| Volume | 314 |
| Issue number | 3-4 |
| DOIs | |
| State | Published - Dec 3 1999 |
| Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry
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