Surface hopping with a manifold of electronic states. II. Application to the many-body Anderson-Holstein model

2015 ◽  
Vol 142 (8) ◽  
pp. 084110 ◽  
Author(s):  
Wenjie Dou ◽  
Abraham Nitzan ◽  
Joseph E. Subotnik
Keyword(s):  
Electronic States ◽  
Many Body ◽  
Surface Hopping ◽  
Holstein Model ◽  
The Many

Correlation energy in triplet electronic states. Application of the many-body Rayleigh-Schrödinger perturbation theory in the restricted Roothaan-Hartree-Fock formalism

1981 ◽  
Vol 46 (6) ◽  
pp. 1324-1331 ◽  
Author(s):  
Petr Čársky ◽  
Ivan Hubač
Keyword(s):  
Wave Function ◽  
Perturbation Theory ◽  
Correlation Energy ◽  
Electronic States ◽  
Many Body ◽  
Third Order ◽  
Explicit Formulas ◽  
Hartree Fock ◽  
The Many ◽  
Schrödinger Perturbation

Explicit formulas over orbitals are given for the correlation energy in triplet electronic states of atoms and molecules. The formulas were obtained by means of the diagrammatic many-body Rayleigh-Schrodinger perturbation theory through third order assuming a single determinant restricted Roothaan-Hartree-Fock wave function. A numerical example is presented for the NH molecule.

Eine kanonische Transformation als Lösungsvorschlag für eine Funktionalgleichung

1980 ◽  
Vol 35 (6) ◽  
pp. 567-578
Author(s):  
F. Wahl
Keyword(s):  
Functional Equation ◽  
Canonical Transformation ◽  
Body Problem ◽  
Electronic States ◽  
Simple Approach ◽  
Canonical Transformations ◽  
Many Body ◽  
Hydrogen In Metals ◽  
The Many ◽  
Inequivalent Representations

A Canonical Transformation as a Proposal of the Solution of a Functional EquationStarting with a functional equation of the New Tamm-Dancoff procedure for electronic states of defects in solids we describe an attempt to transform this equation. The aim is to extract a one-particle equation as a projection which is a good approximation for the case of a defect. The transformation usetii s a simple approach to more general canonical transformations leading to inequivalent representations of the many-body problem. It is compared with the elimination procedure given in a first paper [1] which treated the manj-electron problem occuring with the storage of hydrogen in metals

On the many-body theory of nuclear reactions

1968 ◽  
Vol 111 (1) ◽  
pp. 392-416 ◽  
Author(s):  
K DIETRICH ◽  
K HARA
Keyword(s):  
Nuclear Reactions ◽  
Many Body ◽  
Many Body Theory ◽  
The Many ◽  
Body Theory

Revealing the many-body interactions and valley-polarization behavior in Re-doped MoS2 monolayers

2021 ◽  
Vol 118 (11) ◽  
pp. 113101
Author(s):  
Xiaoli Zhu ◽  
Siting Ding ◽  
Lihui Li ◽  
Ying Jiang ◽  
Biyuan Zheng ◽  
...  
Keyword(s):  
Many Body ◽  
Polarization Behavior ◽  
Valley Polarization ◽  
Mos2 Monolayers ◽  
The Many ◽  
Many Body Interactions

scholarly journals Entangling Lattice-Trapped Bosons with a Free Impurity: Impact on Stationary and Dynamical Properties

Entropy ◽  
2021 ◽  
Vol 23 (3) ◽  
pp. 290
Author(s):  
Maxim Pyzh ◽  
Kevin Keiler ◽  
Simeon I. Mistakidis ◽  
Peter Schmelcher
Keyword(s):  
Structural Changes ◽  
Many Body ◽  
Wide Range ◽  
Entropy Measures ◽  
Particle Level ◽  
The Many ◽  
The One ◽  
Tunneling Dynamics ◽  
The Individual ◽  
Trapped Bosons

We address the interplay of few lattice trapped bosons interacting with an impurity atom in a box potential. For the ground state, a classification is performed based on the fidelity allowing to quantify the susceptibility of the composite system to structural changes due to the intercomponent coupling. We analyze the overall response at the many-body level and contrast it to the single-particle level. By inspecting different entropy measures we capture the degree of entanglement and intraspecies correlations for a wide range of intra- and intercomponent interactions and lattice depths. We also spatially resolve the imprint of the entanglement on the one- and two-body density distributions showcasing that it accelerates the phase separation process or acts against spatial localization for repulsive and attractive intercomponent interactions, respectively. The many-body effects on the tunneling dynamics of the individual components, resulting from their counterflow, are also discussed. The tunneling period of the impurity is very sensitive to the value of the impurity-medium coupling due to its effective dressing by the few-body medium. Our work provides implications for engineering localized structures in correlated impurity settings using species selective optical potentials.

scholarly journals On the Many-Body Expansion of an Interaction Energy of Some Supramolecular Halogen-Containing Capsules

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4431
Author(s):  
Jiří Czernek ◽  
Jiří Brus
Keyword(s):  
Density Functional ◽  
Condensed Phases ◽  
Multicomponent Mixtures ◽  
Many Body ◽  
Symmetric Form ◽  
Functional Theory ◽  
Emergent Features ◽  
The Many ◽  
Surprising Fact ◽  
Dimethyl Benzene

A tetramer model was investigated of a remarkably stable iodine-containing supramolecular capsule that was most recently characterized by other authors, who described emergent features of the capsule’s formation. In an attempt to address the surprising fact that no strong pair-wise interactions between any of the respective components were experimentally detected in condensed phases, the DFT (density-functional theory) computational model was used to decompose the total stabilization energy as a sum of two-, three- and four-body contributions. This model considers complexes formed between either iodine or bromine and the crucial D4h-symmetric form of octaaryl macrocyclic compound cyclo[8](1,3-(4,6-dimethyl)benzene that is surrounded by arenes of a suitable size, namely, either corannulene or coronene. A significant enthalpic gain associated with the formation of investigated tetramers was revealed. Furthermore, it is shown that the total stabilization of these complexes is dominated by binary interactions. Based on these findings, comments are made regarding the experimentally observed behavior of related multicomponent mixtures.

scholarly journals Mechanisms of electron-phonon coupling unraveled in momentum and time: The case of soft phonons in TiSe2

2021 ◽  
Vol 7 (20) ◽  
pp. eabf2810
Author(s):  
Martin R. Otto ◽  
Jan-Hendrik Pöhls ◽  
Laurent P. René de Cotret ◽  
Mark J. Stern ◽  
Mark Sutton ◽  
...  
Keyword(s):  
Wave Vector ◽  
Density Wave ◽  
Phonon Coupling ◽  
Many Body ◽  
Soft Zone ◽  
Electron Phonon Coupling ◽  
Underlying Mechanisms ◽  
The Many ◽  
Coupling Phenomena ◽  
Electron Pocket

The complex coupling between charge carriers and phonons is responsible for diverse phenomena in condensed matter. We apply ultrafast electron diffuse scattering to unravel electron-phonon coupling phenomena in 1T-TiSe2 in both momentum and time. We are able to distinguish effects due to the real part of the many-body bare electronic susceptibility, R[χ0(q)], from those due to the electron-phonon coupling vertex, gq, by following the response of semimetallic (normal-phase) 1T-TiSe2 to the selective photo-doping of carriers into the electron pocket at the Fermi level. Quasi-impulsive and wave vector–specific renormalization of soft zone-boundary phonon frequencies (stiffening) is observed, followed by wave vector–independent electron-phonon equilibration. These results unravel the underlying mechanisms driving the phonon softening that is associated with the charge density wave transition at lower temperatures.

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