English
Related papers

Related papers: Density functional formulation of the Random Phase…

200 papers

We present a real-space method for computing the random phase approximation (RPA) correlation energy within Kohn-Sham density functional theory, leveraging the low-rank nature of the frequency-dependent density response operator. In…

Computational Physics · Physics 2025-04-03 Boqin Zhang , Shikhar Shah , John E. Pask , Edmond Chow , Phanish Suryanarayana

The random phase approximation (RPA) for the correlation energy functional of density functional theory has recently attracted renewed interest. Formulated in terms of the Kohn-Sham (KS) orbitals and eigenvalues, it promises to resolve some…

Other Condensed Matter · Physics 2009-11-13 Hong Jiang , Eberhard Engel

The focus of the present work is the application of the random phase approximation (RPA), derived for inhomogeneous fluids [Frydel and Ma, Phys. Rev. E 93, 062112 (2016)], to penetrable-spheres. As penetrable-spheres transform into…

Statistical Mechanics · Physics 2017-05-17 Yan Xiang , Derek Frydel

The matrix equations of the relativistic random-phase approximation (RRPA) are derived for an effective Lagrangian characterized by density-dependent meson-nucleon vertex functions. The explicit density dependence of the meson-nucleon…

Nuclear Theory · Physics 2009-11-07 T. Niksic , D. Vretenar , P. Ring

The many-body theory of interacting electrons poses an intrinsically difficult problem that requires simplifying assumptions. For the determination of electronic screening properties of the Coulomb interaction, the Random Phase…

Strongly Correlated Electrons · Physics 2021-07-26 Erik G. C. P. van Loon , Malte Rösner , Mikhail I. Katsnelson , Tim O. Wehling

The matrix equations of the random-phase approximation (RPA) are derived for the point-coupling Lagrangian of the relativistic mean-field (RMF) model. Fully consistent RMF plus (quasiparticle) RPA illustrative calculations of the isoscalar…

Nuclear Theory · Physics 2009-11-11 T. Niksic , D. Vretenar , P. Ring

The random phase approximation (RPA) has received a considerable interest in the field of modeling systems where noncovalent interactions are important. Its advantages over widely used density functional theory (DFT) approximations are the…

Chemical Physics · Physics 2019-12-04 Marcin Modrzejewski , Sirous Yourdkhani , Jiri Klimes

In classical density functional theory (DFT) the part of the Helmholtz free energy functional arising from attractive inter-particle interactions is often treated in a mean-field or van der Waals approximation. On the face of it, this is a…

Soft Condensed Matter · Physics 2017-07-25 Andrew J. Archer , Blesson Chacko , Robert Evans

Relativistic Continuum Random Phase Approximation (CRPA) is used to investigate collective excitation phenomena in several spherical nuclei along the periodic table. We start from relativistic mean field calculations based on a covariant…

Nuclear Theory · Physics 2011-03-21 J. Daoutidis , P. Ring

The random-phase approximation (RPA) as an approach for computing the electronic correlation energy is reviewed. After a brief account of its basic concept and historical development, the paper is devoted to the theoretical formulations of…

Materials Science · Physics 2017-07-26 Xinguo Ren , Patrick Rinke , Christian Joas , Matthias Scheffler

We reconsider the theory of the half-filled lowest Landau level using the Chern-Simons formulation and study the grand-canonical potential in the random-phase approximation (RPA). Calculating the unperturbed response functions for current-…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 J. Dietel , Th. Koschny , W. Apel , W. Weller

The random phase approximation (RPA) is attracting renewed interest as a universal and accurate method for first-principles total energy calculations. The RPA naturally accounts for long-range dispersive forces without compromising accuracy…

Materials Science · Physics 2013-03-04 Thomas Olsen , Kristian S. Thygesen

The ground state equilibrium properties of copper-gold alloys have been explored with the state of art random phase approximation (RPA). Our estimated lattice constants agree with the experiment within a mean absolute percentage error…

Materials Science · Physics 2019-07-31 Niraj K. Nepal , Santosh Adhikari , Jefferson E. Bates , Adrienn Ruzsinszky

We assess the performance of a recently proposed renormalized adiabatic local density approximation (rALDA) for \textit{ab initio} calculations of electronic correlation energies in solids and molecules. The method is an extension of the…

Materials Science · Physics 2014-05-30 Thomas Olsen , Kristian S. Thygesen

A fast method is developed for calculating the Random-Phase-Approximation (RPA) correlation energy for density functional theory. The correlation energy is given by a trace over a projected RPA response matrix and the trace is taken by a…

Chemical Physics · Physics 2013-01-01 Daniel Neuhauser , Eran Rabani , Roi Baer

Analytical forces have been derived in the Lagrangian framework for several random phase approximation (RPA) correlated total energy methods based on the range separated hybrid (RSH) approach, which combines a short-range density functional…

Chemical Physics · Physics 2016-03-16 Bastien Mussard , Peter G. Szalay , János G. Ángyán

We present a new method to obtain interaction part of a model Hamiltonian from the result of the first-principles calculation. The effective interaction contained in the model is determined based on the random phase approximation (RPA). In…

Materials Science · Physics 2017-04-26 Hirofumi Sakakibara , Seung Woo Jang , Hiori Kino , Myung Joon Han , Kazuhiko Kuroki , Takao Kotani

Self-consistent relativistic random-phase approximation (RPA) in the radial coordinate representation is established by using the finite amplitude method (FAM). Taking the isoscalar giant monopole resonance in spherical nuclei as example,…

Nuclear Theory · Physics 2013-10-16 Haozhao Liang , Takashi Nakatsukasa , Zhongming Niu , Jie Meng

The Gaussian expansion method (GEM) is extensively applied to the calculations in the random-phase approximation (RPA). We adopt the mass-independent basis-set that has been tested in the mean-field calculations. By comparing the RPA…

Nuclear Theory · Physics 2015-05-13 H. Nakada , K. Mizuyama , M. Yamagami , M. Matsuo

Phase separation of the ultrasoft restricted primitive model (URPM) with Gaussian charges is re-investigated in the random phase approximation (RPA)---the 'Level A' approximation discussed by Nikoubashman, Hansen and Kahl [J. Chem. Phys.…

Statistical Mechanics · Physics 2013-02-22 Patrick B. Warren , Andrew J. Masters
‹ Prev 1 2 3 10 Next ›