Force balance in thermal quantum many-body systems from Noether's theorem
arXiv:2208.00473 · doi:10.1088/1751-8121/aca12d
Abstract
We address the consequences of invariance properties of the free energy of spatially inhomogeneous quantum many-body systems. We consider a specific position-dependent transformation of the system that consists of a spatial deformation and a corresponding locally resolved change of momenta. This operator transformation is canonical and hence equivalent to a unitary transformation on the underlying Hilbert space of the system. As a consequence, the free energy is an invariant under the transformation. Noether's theorem for invariant variations then allows to derive an exact sum rule, which we show to be the locally resolved equilibrium one-body force balance. For the special case of homogeneous shifting, the sum rule states that the average global external force vanishes in thermal equilibrium.
arXiv comment11 pages, revised version
References in corpus (22)
- Invariant Variation Problems
- Dynamic Density Functional Theory of Fluids
- Dynamical density functional theory and its application to spinodal decomposition
- Power functional theory for Brownian dynamics
- Canonical Transformations in Quantum Mechanics
- Quantum many-body dynamics in a Lagrangian frame: I. Equations of motion and conservation laws
- Power functional theory for many-body dynamics
- Quantum many-body dynamics in a Lagrangian frame: II. Geometric formulation of time-dependent density functional theory
- Non-adiabatic electron dynamics in time-dependent density-functional theory
- Use the force! Reduced variance estimators for densities, radial distribution functions and local mobilities in molecular simulations
- Noether's Theorem in Statistical Mechanics
- Time-dependent deformation functional theory
- Better than counting: Density profiles from force sampling
- Why Noether's Theorem applies to Statistical Mechanics
- One-body reduced density-matrix functional theory in finite basis sets at elevated temperatures
- Force Balance Approach for Advanced Approximations in Density Functional Theories
- Force density functional theory in- and out-of-equilibrium
- Fundamental measure theory of inhomogeneous two-body correlation functions
- Variance of fluctuations from Noether invariance
- A reformulation of time-dependent Kohn-Sham theory in terms of the second time derivative of the density
- Bypassing the energy functional in density functional theory: Direct calculation of electronic energies from conditional probability densities
- Conditional probability density functional theory
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