Schmidt Matthias
Theoretische Physik II, Physikalisches Institut, Universität Bayreuth, D-95440 Bayreuth, Germany.
J Chem Phys. 2015 Nov 7;143(17):174108. doi: 10.1063/1.4934881.
We construct a one-body variational theory for the time evolution of nonrelativistic quantum many-body systems. The position- and time-dependent one-body density, particle current, and time derivative of the current act as three variational fields. The generating (power rate) functional is minimized by the true current time derivative. The corresponding Euler-Lagrange equation, together with the continuity equation for the density, forms a closed set of one-body equations of motion. Space- and time-nonlocal one-body forces are generated by the superadiabatic contribution to the functional. The theory applies to many-electron systems.
我们为非相对论量子多体系统的时间演化构建了一种单体变分理论。位置和时间相关的单体密度、粒子流以及流的时间导数充当三个变分场。生成（功率率）泛函通过真实的流时间导数最小化。相应的欧拉 - 拉格朗日方程与密度的连续性方程一起，形成了一组封闭的单体运动方程。泛函的超绝热贡献产生了空间和时间非局部的单体力。该理论适用于多电子系统。
