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The random-phase approximation (RPA) formulated within the adiabatic connection fluctuation-dissipation framework is a powerful approach to compute the ground-state energies and properties of molecules and materials. Its overall…

Chemical Physics · Physics 2025-05-13 Muhammad N. Tahir , Honghui Shang , Xinguo Ren

We present a method to approximate post-Hartree-Fock correlation energies by using approximate natural orbitals obtained by the random phase approximation (RPA). We demonstrate the method by applying it to the helium atom, the hydrogen and…

Chemical Physics · Physics 2021-03-22 Benjamin Ramberger , Zoran Sukurma , Tobias Schäfer , Georg Kresse

We performed density functional calculations to estimate the formation energies of intermetallic alloys. We used two semilocal approximations, the generalized gradient approximation (GGA) by Perdew-Burke-Ernzerhof (PBE) and the strongly…

Materials Science · Physics 2020-11-25 Niraj K. Nepal , Santosh Adhikari , Bimal Neupane , Adrienn Ruzsinszky

The self-consistent random-phase approximation (SCRPA) is reexamined within a multilevel-pairing model with double degeneracy. It is shown that the expressions for occupation numbers used in the original version of SCRPA violate the…

Nuclear Theory · Physics 2009-11-10 Nguyen Dinh Dang

We consider several spin-unrestricted random-phase approximation (RPA) variants for calculating correlation energies, with and without range separation, and test them on datasets of atomization energies and reaction barrier heights. We show…

Chemical Physics · Physics 2016-03-01 Bastien Mussard , Peter Reinhardt , Janos Angyan , Julien Toulouse

Recently the damping of the collective charge (and spin) modes of interacting fermions in one spatial dimension was studied. It results from the nonlinear correction to the energy dispersion in the vicinity of the Fermi points. To…

Strongly Correlated Electrons · Physics 2009-11-13 K. Schönhammer

Using the adiabatic connection, we formulate the free energy in terms of the correlation function of a fictitious system, $h_{\lambda}({\bf r},{\bf r}')$, where $\lambda$ determines the interaction strength. To obtain $h_{\lambda}({\bf…

Statistical Mechanics · Physics 2016-06-15 Derek Frydel , Manman Ma

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

The optimized random phase approximation (ORPA) for classical liquids is re-examined in the framework of the generating functional approach to the integral equations. We show that the two main variants of the approximation correspond to the…

Chemical Physics · Physics 2009-10-30 G. Pastore , O. Akinlade , F. Matthews , Z. Badirkhan

We develop a second order correction to commonly used density functional approximations (DFA) to eliminate the systematic delocalization error. The method, based on the previously developed global scaling correction (GSC), is an exact…

Chemical Physics · Physics 2021-07-22 Yuncai Mei , Zehua Chen , Weitao Yang

The spin and density response functions in the random phase approximation (RPA) are derived by linearizing the kinetic equation including a magnetic field, the spin-orbit coupling, and mean fields with respect to an external electric field.…

Strongly Correlated Electrons · Physics 2017-07-13 K. Morawetz

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 Hartree-Fock approximation to the many-fermion problem can break exact symmetries, and in some cases by changing a parameter in the interaction one can drive the Hartree-Fock minimum from a symmetry-breaking state to a…

Nuclear Theory · Physics 2009-09-11 Calvin W. Johnson , Ionel Stetcu

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 show that density functional theory within the RPA (random phase approximation for the exchange-correlation energy) provides a correct description of bond dissociation in H$_2$ in a spin-restricted Kohn-Sham formalism, i.e. without…

Other Condensed Matter · Physics 2009-11-10 M. Fuchs , Y. -M. Niquet , X. Gonze , K. Burke

The Random Phase Approximation (RPA) is a widely employed post Hartree-Fock or DFT method, capable of capturing van der Waal interactions and other dynamic correlation effects at relatively low costs of $\mathcal O(N^3)$ in time and…

Materials Science · Physics 2015-09-02 Felix Hummel

Elucidating the impact of strong electronic interactions on the collective excitations of metallic systems has been of longstanding interest, mainly due to the inadequacy of the random phase approximation (RPA) in the strongly correlated…

Strongly Correlated Electrons · Physics 2024-09-25 Loïc Philoxene , Vu Hung Dao , Raymond Frésard

The RPA long range correlations are known to play a significant role in understanding the depletion of single particle-hole states observed in (e, e') and (e, e'p) measurements. Here the Random Phase Approximation (RPA) theory, implemented…

Nuclear Theory · Physics 2009-11-11 M. Dupuis , S. Karataglidis , E. Bauge , J. P. Delaroche , D. Gogny

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 discuss the application of the static path plus random phase approximation (SPA+RPA) and the ensuing mean field+RPA treatment to the evaluation of entanglement in composite quantum systems at finite temperature. These methods involve…

Quantum Physics · Physics 2010-12-22 N. Canosa , J. M. Matera , R. Rossignoli