Equation for the direct determination of the density matrix: Time-dependent density equation and perturbation theory |
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Authors: | Hiroshi Nakatsuji |
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Institution: | (1) Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Kyoto 606-01, Japan and Institute for Fundamental Chemistry, 34-4 Takano Nishi-hiraki-cho, Sakyo-ku, Kyoto 606, Japan, JP |
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Abstract: | The density equation proposed previously for the direct determination of the density matrix, i.e. for the wave mechanics
without wave, is extended to a time-dependent case. The time-dependent density equation has been shown to be equivalent to
the time-dependent Schr?dinger equation so long as the density matrix, included as a self-contained variable, is N-representable. Formally, it is obtainable from the previous time-independent equation by replacing the energy E with . The perturbation theory formulas for the density equation have also been given for both the time-dependent and time-independent
cases.
Received: 16 June 1998 / Accepted: 2 September 1998 / Published online: 8 February 1999 |
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Keywords: | : Density equation Time-dependent density equation Perturbation theory |
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