Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Bulletin of the American Physical Society

Efficient calculation of random-phase approximation correlation energies using Lanczos chains and an optimal basis set

Dario Rocca

Published Mar 4, 2014• 0 citations
OpenAlex

Related papers

Self-consistent calculations of correlation energies within the random phase approximation

Stefano de Gironcoli, Ngoc Linh Nguyen, Viet Huy Nguyen +1 more

Bulletin of the American Physical Society•Mar 21, 2011•0 citations

Reduced-basis method for linear response within nuclear density functional theory

Nobuo Hinohara, Xilin Zhang, Jonathan Engel

Background: The quasiparticle random-phase approximation (QRPA) within nuclear density functional theory provides a powerful framework for describing collective excitations. Although the finite-amplitude method (FAM) efficiently solves the QRPA problem, repeated calculations for different external-field parameters remain computationally demanding. Purpose: We construct a reduced basis method (RBM)-based emulator for the FAM that treats the complex energy of the external field as a model parameter to efficiently reproduce FAM amplitudes and QRPA eigenmodes. Methods: High-fidelity FAM calculations are performed at a small set of training points in the complex-energy plane. The resulting FAM amplitudes form a non-orthogonal reduced basis. A variational equation yields an emulator that can predict the response at arbitrary complex energies and QRPA eigensolutions without additional full FAM calculations. Results: The RBM emulator accurately reproduces FAM strength distributions in both giant-resonance and low-energy regions when the relevant energy domain is covered by the training set. It also reproduces imaginary QRPA modes associated with shape instabilities of the HFB state. Applied to the $K^π=0^+$ mode of rare-earth Dy isotopes in a realistic model space, the emulator reproduces strength distributions and the lowest $0^+$ collective states with precision comparable to full FAM calculations, reducing the computational cost by more than an order of magnitude. Conclusions: The RBM provides an efficient and accurate FAM emulator. Its ability to reproduce giant-resonance, low-energy, and imaginary-energy modes at drastically reduced computational cost makes it promising for density-functional optimization, calculations of collective inertia, and large-scale surveys of nuclear collective excitations.

arXiv:2609.03903•Sep 3, 2026•0 citations

Accelerating the Computation of Density Functional Theory's Correlation Energy under Random Phase Approximations

Kyle Thicke

•Jan 1, 2019•1 citation

Thermodynamic properties of the XXZ model in a transverse field

Mohammad Siahatgar, A. Langari

We have numerically studied the thermodynamic properties of the spin $\frac{1}{2}$ $XXZ$ chain in the presence of a transverse (noncommuting) magnetic field. The thermal, field dependence of specific heat and correlation functions for chains up to 20 sites has been calculated. The area where the specific heat decays exponentially is considered as a measure of the energy gap. We have also obtained the exchange interaction between chains in a bulk material using the random phase approximation and derived the phase diagram of the three-dimensional material with this approximation. The behavior of the structure factor at different momenta verifies the antiferromagnetic long-range order in the $y$ direction for the three-dimensional case. Moreover, we have concluded that the low temperature Lanczos results [M. Aichhorn et al., Phys. Rev. B 67, 161103(R) (2003)] are more accurate for low temperatures and closer to the full diagonalization ones than the results of finite temperature Lanczos method [J. Jaklic and P. Prelovsek, Phys. Rev. B 49, 5065 (1994)].

arXiv:0711.0569•Physical Review B•Feb 27, 2008•9 citations

Can we trust the random phase approximation? I: Correlation energy

Calvin M. Johnson, Ionel Stetcu

APS•Oct 1, 2003•0 citations

Effective interactions, linear response, and correlated rings: A study of chain diagrams in correlated basis functions

E. Krotscheck

We study the connections between the chain summations of variational theories of Fermi fluids and those generated by ring-diagram summations in the correlated-basis-functions (CBF) perturbation theory. The effective interactions of CBF theory and the random-phase-approximation (RPA) equations in the correlated basis are rewritten in an irreducible form. We discuss local approximations to the irreducible vertex which are sympathetic with the use of variational wave functions. They allow contact to be made with conventional formulations of the RPA, to weak-coupling, pseudopotential, or "local-screening" theories. Our studies lead also to consistency requirements between variational calculations of ground-state properties and the effective interactions used in CBF theory.

Physical Review A•Dec 1, 1982•70 citations
Background: The quasiparticle random-phase approximation (QRPA) within nuclear density functional theory provides a powerful framework for describing collective excitations. Although the finite-amplitude method (FAM) efficiently solves the QRPA problem, repeated calculations for different external-field parameters remain computationally demanding. Purpose: We construct a reduced basis method (RBM)-based emulator for the FAM that treats the complex energy of the external field as a model parameter to efficiently reproduce FAM amplitudes and QRPA eigenmodes. Methods: High-fidelity FAM calculations are performed at a small set of training points in the complex-energy plane. The resulting FAM amplitudes form a non-orthogonal reduced basis. A variational equation yields an emulator that can predict the response at arbitrary complex energies and QRPA eigensolutions without additional full FAM calculations. Results: The RBM emulator accurately reproduces FAM strength distributions in both giant-resonance and low-energy regions when the relevant energy domain is covered by the training set. It also reproduces imaginary QRPA modes associated with shape instabilities of the HFB state. Applied to the Kπ=0+K^π=0^+Kπ=0+ mode of rare-earth Dy isotopes in a realistic model space, the emulator reproduces strength distributions and the lowest 0+0^+0+ collective states with precision comparable to full FAM calculations, reducing the computational cost by more than an order of magnitude. Conclusions: The RBM provides an efficient and accurate FAM emulator. Its ability to reproduce giant-resonance, low-energy, and imaginary-energy modes at drastically reduced computational cost makes it promising for density-functional optimization, calculations of collective inertia, and large-scale surveys of nuclear collective excitations.
We have numerically studied the thermodynamic properties of the spin 12\frac{1}{2}21​ XXZXXZXXZ chain in the presence of a transverse (noncommuting) magnetic field. The thermal, field dependence of specific heat and correlation functions for chains up to 20 sites has been calculated. The area where the specific heat decays exponentially is considered as a measure of the energy gap. We have also obtained the exchange interaction between chains in a bulk material using the random phase approximation and derived the phase diagram of the three-dimensional material with this approximation. The behavior of the structure factor at different momenta verifies the antiferromagnetic long-range order in the yyy direction for the three-dimensional case. Moreover, we have concluded that the low temperature Lanczos results [M. Aichhorn et al., Phys. Rev. B 67, 161103(R) (2003)] are more accurate for low temperatures and closer to the full diagonalization ones than the results of finite temperature Lanczos method [J. Jaklic and P. Prelovsek, Phys. Rev. B 49, 5065 (1994)].
We study the connections between the chain summations of variational theories of Fermi fluids and those generated by ring-diagram summations in the correlated-basis-functions (CBF) perturbation theory. The effective interactions of CBF theory and the random-phase-approximation (RPA) equations in the correlated basis are rewritten in an irreducible form. We discuss local approximations to the irreducible vertex which are sympathetic with the use of variational wave functions. They allow contact to be made with conventional formulations of the RPA, to weak-coupling, pseudopotential, or "local-screening" theories. Our studies lead also to consistency requirements between variational calculations of ground-state properties and the effective interactions used in CBF theory.