Title of article :
Time-dependent density functional theory within the Tamm–Dancoff approximation
Author/Authors :
Hirata، نويسنده , , So and Head-Gordon، نويسنده , , Martin، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1999
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.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters