Quantum power functional theory for many-body dynamics

Journal Article · Sat Nov 07 00:00:00 EST 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4934881· OSTI ID:22493191

Schmidt, Matthias ^[1]

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1. Theoretische Physik II, Physikalisches Institut, Universität Bayreuth, D-95440 Bayreuth (Germany)

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.

• OSTI ID: 22493191
• Journal Information: Journal of Chemical Physics, Vol. 143, Issue 17; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

97 MATHEMATICAL METHODS AND COMPUTING
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CONTINUITY EQUATIONS
DENSITY
EQUATIONS OF MOTION
LAGRANGE EQUATIONS
MANY-BODY PROBLEM
TIME DEPENDENCE
VARIATIONAL METHODS