Journal ArticleDOI
Self-consistent polarization propagator approximation as a modified random phase method
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TLDR
In this article, a self-consistent decoupling procedure analogous to the Hartree-Fock decoupled for the electron propagator was proposed for finding the particle-hole propagator.Abstract:
A formal scheme is developed for finding the particle‐hole propagator by means of a self‐consistent decoupling procedure analogous to the Hartree‐Fock decoupling for the electron propagator. The self‐consistency comes from a contour integration of the Fourier transform of the propagator, utilizing a method introduced by Coulson. The method yields oscillator strengths and excitation energies, as well as the two‐particle density matrix, which allows any one‐ or two‐particle operator expectation value to be evaluated. The stability of the scheme is discussed, and comparisons with other, related, approximations are made.read more
Citations
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Journal ArticleDOI
Density Matrix Analysis and Simulation of Electronic Excitations in Conjugated and Aggregated Molecules
Sergei Tretiak,Shaul Mukamel +1 more
TL;DR: Conjugated polymers are primary candidates for new organic optical materials with large nonlinear polarizabilities and potential applications include electroluminescence, light emitting diodes, ultrafast switches, photodetectors, biosensors, and optical limiting materials.
Journal ArticleDOI
Direct calculation of ionization energies
Barry T. Pickup,O. Goscinski +1 more
TL;DR: In this paper, the advantages of the propagator formalism, as a direct method of calculating ionization energies, are stressed for closed-shell systems using an operator method instead of the usual diagrammatic derivations.
Book ChapterDOI
Polarization Propagator Calculations
TL;DR: In this paper, the authors show how the polarization propagator can be used advantageously in practical calculations of excitation properties of atomic, molecular, and metallic systems, and discuss the second-order response properties and sum rules, and the ground-state correlation energies.
Journal ArticleDOI
Polarization propagator methods in atomic and molecular calculations
Journal ArticleDOI
Theory of electron affinities of small molecules
Jack Simons,Wesley D. Smith +1 more
TL;DR: In this paper, a physically clear and computationally tractable theory of molecular electron affinities was derived, based on the equations of motion (EoM) method, which has been successfully applied to the prediction of electronic excitation energies.
References
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Journal ArticleDOI
Theory of Superconductivity
TL;DR: In this article, a theory of superconductivity is presented, based on the fact that the interaction between electrons resulting from virtual exchange of phonons is attractive when the energy difference between the electrons states involved is less than the phonon energy, and it is favorable to form a superconducting phase when this attractive interaction dominates the repulsive screened Coulomb interaction.
Journal ArticleDOI
Electron correlations in narrow energy bands
TL;DR: In this paper, the Hartree-Fock approximation of the correlation problem for the d-and f-bands was applied to a simple, approximate model for the interaction of electrons in narrow energy bands.
Book
Methods of Quantum Field Theory in Statistical Physics
Aleksei Alekseevich Abrikosov,Lev P. Gor'kov,I. E. Dzyaloshinski,Richard A. Silverman,George H. Weiss +4 more
Journal ArticleDOI
Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
TL;DR: In this article, the authors define a set of generalized density matrices for the Hermitean density matrix of order $k, which is further antisymmetric in each set of these indices.
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