High-order variational perturbation theory for the free energy
نویسندگان
چکیده
منابع مشابه
Kohn-Sham perturbation theory: simple solution to variational instability of second order correlation energy functional.
The orbital-dependent correlation energy functional resulting from second order Kohn-Sham perturbation theory leads to atomic correlation potentials with correct shell structure and asymptotic behavior. The absolute magnitude of the exact correlation potential, however, is greatly overestimated. In addition, this functional is variationally instable, which shows up for systems with nearly degen...
متن کاملHigh order perturbation study of the frustrated quantum Ising chain
In this paper, using high order perturbative series expansion method, the critical exponents of the order parameter and susceptibility in transition from ferromagnetic to disordered phases for 1D quantum Ising model in transverse field, with ferromagnetic nearest neighbor and anti-ferromagnetic next to nearest neighbor interactions, are calculated. It is found that for small value of the frustr...
متن کاملVariational theory for site resolved protein folding free energy surfaces
We present a microscopic variational theory for the free energy surface of a fast folding protein that allows folding kinetics to be resolved to the residue level using Debye-Waller factors as local order parameters. We apply the method to λ-repressor and compare with site directed mutagenesis experiments. The formation of native structure and the free energy profile along the folding route are...
متن کاملVariational Perturbation Theory for Density Matrices
Variational perturbation theory [1,2] transforms divergent perturbation expansions into convergent ones. The convergence extends to infinitely strong couplings [3], a property which has recently been used to derive critical exponents in field theory without renormalization group methods [4,5]. The theory has first been developed in quantum mechanics for the path integral representation of the f...
متن کاملTargeted free energy perturbation.
In this paper generalization of the free energy perturbation identity is derived, and a computational strategy based on this result is presented. A simple example illustrates the efficiency gains that can be achieved with this method.
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review E
سال: 2002
ISSN: 1063-651X,1095-3787
DOI: 10.1103/physreve.66.036129