System-Size Dependence in Grand Canonical and Canonical Ensembles
@article{Chakraborty2015SystemSizeDI,
title={System-Size Dependence in Grand Canonical and Canonical Ensembles},
author={Debajit Chakraborty and James W. Dufty and Valentin V. Karasiev},
journal={arXiv: Statistical Mechanics},
year={2015},
volume={71},
pages={11-27}
}
7 Citations
Analytical and numerical expressions for the number of atomic configurations contained in a supershell
- MathematicsJournal of Physics B: Atomic, Molecular and Optical Physics
- 2020
We present three explicit formulas for the number of electronic configurations in an atom, i.e. the number of ways to distribute Q electrons in N subshells of respective degeneracies g1, g2, …, gN.…
Finite temperature scaling in density functional theory
- Physics
- 2016
ABSTRACT A previous analysis of scaling, bounds, and inequalities for the non-interacting functionals of thermal density functional theory (DFT) is extended to the full interacting functionals. The…
Particle conservation in dynamical density functional theory
- PhysicsJournal of physics. Condensed matter : an Institute of Physics journal
- 2016
The canonical free energy functional is obtained, which yields the adiabatic interparticle forces of overdamped Brownian motion, using an exact and one of the most advanced approximate hard core free energy functionals, which obtain excellent agreement with simulations.
Erratum: Analytical and numerical expressions for the number of atomic configurations contained in a supershell (2020 J. Phys. B: At. Mol. Opt. Phys. 53 115002)
- MathematicsJournal of Physics B: Atomic, Molecular and Optical Physics
- 2020
We present three explicit formulas for the number of electronic configurations in an atom, i.e. the number of ways to distribute Q electrons in N subshells of respective degeneracies g 1 , g 2 , ...,…
Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem.
- PhysicsPhysical review letters
- 2016
The van Leeuwen proof of linear-response time-dependent density functional theory (TDDFT) is generalized to thermal ensembles, which produces a natural method for generating new thermal exchange-correlation approximations.
A Bibliography of Publications of
- History
- 2015
This bibliography records publications of Frank E. Harris. Title word cross-reference + [132]. 1 [216, 217]. $14.50 [46]. $20.00 [20]. 3 + 1 [378]. = [192]. + [72, 358]. 5 [121]. − [87, 132, 59]. 1…
A Bibliography of Publications of Frank E. Harris
- History
- 2014
This bibliography records publications of Frank E. Harris. Title word cross-reference + [120]. 1 [202, 203]. $14.50 [41]. $20.00 [22]. = [178]. + [67, 331]. 5 [109]. − [80, 120, 54]. 1 [89, 90]. Σ…
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