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A new approach for describing the effective electronic states of "atoms in compounds" to study the properties of molecules and condensed matter which are circumscribed by the operators heavily concentrated in atomic cores is proposed. Among…

Chemical Physics · Physics 2014-12-02 Anatoly V. Titov , Yuriy V. Lomachuk , Leonid V. Skripnikov

We propose a novel approach to quasiparticle GW calculations which does not require the computation of unoccupied electronic states. In our approach the screened Coulomb interaction is evaluated by solving self-consistent linear-response…

Materials Science · Physics 2015-05-14 Feliciano Giustino , Marvin L. Cohen , Steven G. Louie

We use the effective-mass approximation and the density-functional theory with the local-density approximation for modeling two-dimensional nano-structures connected phase-coherently to two infinite leads. Using the non-equilibrium Green's…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Paula Havu , Ville Havu , Martti Puska , Risto Nieminen

The numerical extraction of resonant states of open quantum systems is usually a difficult problem. Regularization techniques, such as the mapping to complex coordinates or the addition of Complex Absorbing Potentials are typically…

Materials Science · Physics 2015-04-03 Luigi Genovese , Alessandro Cerioni , Maxime Morinière , Thierry Deutsch

We show that a simple correlated wave function, obtained by applying a Jastrow correlation term to an Antisymmetrized Geminal Power (AGP), based upon singlet pairs between electrons, is particularly suited for describing the electronic…

Other Condensed Matter · Physics 2009-11-10 M. Casula , C. Attaccalite , S. Sorella

The classical picture of the force on a capacitor assumes a large density of electronic states, such that the electrochemical potential of charges added to the capacitor is given by the external electrostatic potential and the capacitance…

Mesoscale and Nanoscale Physics · Physics 2016-12-13 Changyao Chen , Vikram V. Deshpande , Mikito Koshino , Sunwoo Lee , Alexander Gondarenko , Allan H. MacDonald , Philip Kim , James Hone

Green's function methods within many-body perturbation theory provide a general framework for treating electronic correlations in excited states. Here we investigate the cumulant form of the one-electron Green's function based on the…

Chemical Physics · Physics 2021-04-23 F. D. Vila , J. J. Rehr , J. J. Kas , K. Kowalski , B. Peng

Linear response theories in the continuum capable of describing continuum spectra and dynamical correlations are presented. Our formulation is essentially the same as the continuum random-phase approximation (RPA) but suitable for uniform…

Nuclear Theory · Physics 2017-08-23 Takashi Nakatsukasa , Kazuhiro Yabana

A review of electronic dynamics of single-impurity and many-impurity Anderson models is contained in this report. Those models are used widely for many of the applications in diverse fields of interest, such as surface physics, theory of…

Strongly Correlated Electrons · Physics 2015-03-04 A. L. Kuzemsky

A finite element-based modal formulation of diffraction of a plane wave by an absorbing photonic crystal slab of arbitrary geometry is developed for photovoltaic applications. The semi-analytic approach allows efficient and accurate…

We combine the electron attachment (EA) and ionization potential (IP) equation-of-motion (EOM) coupled-cluster (CC) approaches with the CC($P$;$Q$) formalism. The resulting methodologies are used to describe the electronic states of several…

Chemical Physics · Physics 2025-09-19 Karthik Gururangan , Stephen H. Yuwono , A. Eugene DePrince , Piotr Piecuch

Here two theoretical models of semi-classical matrix and quantum Green's function are developed for the system of x-ray thin-film planar cavity with inner-shell electronic resonances. The semi-classical model is based on the matrix…

Quantum Physics · Physics 2022-03-02 Xin-Chao Huang , Tian-Jun Li , Frederico Alves Lima , Lin-Fan Zhu

We introduce an experimental technique for complete phase-sensitive characterization of arbitrary unitary spectral-temporal transformations of optical modes. Our method recovers the complex spectral transfer function, or Green's function,…

We consider a classical hydrogen atom in a linearly polarized electric field of slow changing frequency. When the system passes through a resonance between the driving frequency and the Kepler frequency of the electron's motion, a capture…

Atomic Physics · Physics 2009-11-10 Anatoly Neishtadt , Alexei Vasiliev

The newly developed iterative method based on Green function defined by quadratures along a single trajectory is combined with the variational method to solve the ground state quantum wave function for central potentials. As an example, the…

Quantum Physics · Physics 2018-01-17 W. Q. Zhao

Wave propagation in coherently absorbing disordered media is generally modeled by adding a complex part to the real part of the potential. In such a case, it is already understood that the complex potential plays a duel role; it acts as an…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Prabhakar Pradhan

We introduce a quantum Monte Carlo technique to calculate exactly at finite temperatures the Green function of a fermionic quantum impurity coupled to a bosonic field. While the algorithm is general, we focus on the single impurity Anderson…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Liliana Arrachea , Marcelo J. Rozenberg

Results of recent density functional theory calculations for alkali metal adsorbates on close-packed metal surfaces are discussed. Single adatoms on the (111) surface of Al and Cu are studied with the self-consistent surface Green-function…

mtrl-th · Physics 2016-09-07 C. Stampfl , M. Scheffler

Marchenko methods are based on integral representations which express Green's functions for virtual sources and/or receivers in the subsurface in terms of the reflection response at the surface. An underlying assumption is that inside the…

Geophysics · Physics 2021-06-22 Kees Wapenaar , Roel Snieder , Sjoerd de Ridder , Evert Slob

Complex field measurements are increasingly becoming the standard for state-of-the-art astronomical instrumentation. Complex field measurements have been used to characterize a suite of ground, airborne, and space-based heterodyne receiver…

Instrumentation and Methods for Astrophysics · Physics 2018-09-25 Kristina K. Davis , Willem Jellema , Stephen J. C. Yates , Christopher E. Groppi , Jochem J. A. Baselmans , Andrey M. Baryshev
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