English
Related papers

Related papers: Modelisation of London dispersion forces by random…

200 papers

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

We present an extension of the random--phase approximation (RPA) where the RPA phonons are used as building blocks to construct the excited states. In our model, that we call double RPA (DRPA), we include up to two RPA phonons. This is an…

Nuclear Theory · Physics 2016-02-17 D. Gambacurta , F. Catara , M. Grasso , M. Sambataro , M. V. Andrés , E. G. Lanza

A diagrammatic multi-reference generalization of many-body perturbation theory was recently introduced [J. Phys. Chem. Lett., 2025, 16, 3047]. This framework allows us to extend single-reference (SR) Green's function methods defined at the…

Quantum Physics · Physics 2025-07-29 Yuqi Wang , Wei-Hai Fang , Zhendong Li

We investigate static correlation and delocalization errors in the self-consistent GW and random-phase approximation (RPA) by studying molecular dissociation of the H_2 and LiH molecules. Although both approximations contain topologically…

Strongly Correlated Electrons · Physics 2015-04-10 Maria Hellgren , Fabio Caruso , Daniel R. Rohr , Xinguo Ren , Angel Rubio , Matthias Scheffler , Patrick Rinke

We revisit the connection between equation-of-motion coupled cluster (EOM-CC) and random phase approximation (RPA) explored recently by Berkelbach [J. Chem. Phys. 149, 041103 (2018)] and unify various methodological aspects of these diverse…

Chemical Physics · Physics 2020-12-17 Varun Rishi , Ajith Perera , Rodney J. Bartlett

We generalize the recently introduced single-boson exchange formalism to nonlocal interactions. In the functional renormalization group application to the extended Hubbard model in two dimensions, we show that the flow of the rest function…

Strongly Correlated Electrons · Physics 2024-12-11 Aiman Al-Eryani , Sarah Heinzelmann , Kilian Fraboulet , Friedrich Krien , Sabine Andergassen

A random-phase approximation (RPA) treatment of edge magnetoplasmons (EMP) is presented for strong magnetic fields, low temperatures, and integer filling factors \nu. It is valid for negligible dissipation and lateral confining potentials…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 O. G. Balev , P. Vasilopoulos

We perform Random Phase Approximation (RPA) study of collective excitations in the bose-fermi mixed degenerate gas of Alkali-metal atoms at T=0. The calculation is done by diagonalization in a model space composed of particle-hole type…

Condensed Matter · Physics 2009-11-07 T. Sogo , T. Miyakawa , T. Suzuki , H. Yabu

We derive the self-consistent random phase approximations (sc-RPA) from the projective truncation approximation (PTA) for the equation of motion of two-time Green's function. The obtained sc-RPA applies to arbitrary temperature and recovers…

Strongly Correlated Electrons · Physics 2026-04-21 Yue-Hong Wu , Xinguo Ren , Ning-Hua Tong

The random phase approximation (RPA) is exact for the exchange energy of a many-electron ground state, but RPA makes the correlation energy too negative by about 0.5 eV/electron. That large short-range error, which tends to cancel out of…

Computational Physics · Physics 2020-06-24 Tim Gould , Adrienn Ruzsinszky , John P. Perdew

We propose a practical method to solve the random-phase approximation (RPA) in the self-consistent Hartree-Fock (HF) and density-functional theory. The method is based on numerical evaluation of the residual interactions utilizing finite…

Nuclear Theory · Physics 2010-11-26 Takashi Nakatsukasa , Tsunenori Inakura , Kazuhiro Yabana

Electronic correlation energies from the random-phase approximation converge slowly with respect to the plane wave basis set size. We study the conditions, under which a short-range local density functional can be used to account for the…

Materials Science · Physics 2023-07-18 Stefan Riemelmoser , Merzuk Kaltak , Georg Kresse

We present a spectral finite-element formulation of the optimized effective potential (OEP) method for atomic structure calculations in the random phase approximation (RPA). In particular, we develop a finite-element framework that employs…

Computational Physics · Physics 2026-01-28 Shubhang Krishnakant Trivedi , Phanish Suryanarayana

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

This Ph.D. thesis derives the equations of the Faddeev Random Phase Approximation (FRPA) and applies the method to a set of small atoms and molecules. The occurence of RPA instabilities in the dissociation limit is addressed in molecules…

Chemical Physics · Physics 2015-06-11 Matthias Degroote

We present an embedding approach to treat local electron correlation effects in periodic environments. In a single, consistent framework, our plane-wave based scheme embeds a local high-level correlation calculation (here Coupled Cluster…

Chemical Physics · Physics 2021-01-07 Tobias Schäfer , Florian Libisch , Georg Kresse , Andreas Grüneis

In recent work, generalized gradient approximations (GGA's) have been constructed from the energy density of the Airy gas for exchange but not for correlation. We report the random phase approximation (RPA) conventional correlation energy…

Materials Science · Physics 2009-06-30 Lucian A. Constantin , Adrienn Ruzsinszky , John P. Perdew

The widespread use of (generalized) Kohn-Sham density functional theory (KS-DFT) lies in the fact that hierarchical sets of approximations of the exchange-correlation (XC) energy functional can be designed, offering versatile choices to…

Materials Science · Physics 2023-01-31 Igor Ying Zhang , Xinguo Ren

We present a review of the discrete dipole approximation (DDA), which is a general method to simulate light scattering by arbitrarily shaped particles. We put the method in historical context and discuss recent developments, taking the…

Optics · Physics 2022-03-30 Maxim A. Yurkin , Alfons G. Hoekstra

In this work, we consider the particle-hole random phase approximation (phRPA), an approximation to the correlation energy in electronic structure, and show that the phRPA energy of the H2 molecule correctly dissociates. That is, as the…

Analysis of PDEs · Mathematics 2022-10-11 Mi-Song Dupuy , Kyle Thicke
‹ Prev 1 3 4 5 6 7 10 Next ›