Highly accurate numerical solution of Hartree–Fock equation with pseudospectral method for closed-shell atoms
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Mathematical Chemistry"
DOI: 10.1007/s10910-020-01144-z
Abstract: The Hartree–Fock (HF) equation for atoms with closed (sub)shells is transformed with the pseudospectral (PS) method into a discrete eigenvalue equation for scaled orbitals on a finite radial grid. The Fock exchange operator and the… read more here.
Keywords: pseudospectral method; numerical solution; fock; equation ... See more keywords
FRACTIONAL FOCK–SOBOLEV SPACES
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DOI: 10.1017/nmj.2018.11
Abstract: Let $s\in \mathbb{R}$ and $0 read more here.
Keywords: spaces mathscr; fractional fock; fock; fock sobolev ... See more keywords
Efficient Four-Component Dirac-Coulomb-Gaunt Hartree-Fock in the Pauli Spinor Representation.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00137
Abstract: Four-component Dirac-Hartree-Fock is an accurate mean-field method for treating molecular systems where relativistic effects are important. However, the computational cost and complexity of the two-electron interaction make this method less common, even though we can… read more here.
Keywords: fock; four component; component dirac; hartree fock ... See more keywords
Creating large Fock states and massively squeezed states in optics using systems with nonlinear bound states in the continuum.
Sign Up to like & getrecommendations! Published in 2022 at "Proceedings of the National Academy of Sciences of the United States of America"
DOI: 10.1073/pnas.2219208120
Abstract: The quantization of the electromagnetic field leads directly to the existence of quantum mechanical states, called Fock states, with an exact integer number of photons. Despite these fundamental states being long-understood, and despite their many… read more here.
Keywords: bound states; large fock; squeezed states; fock ... See more keywords
Comparison of Hartree–Fock and Hartree–Fock–Slater approximations for calculation of radiation damage dynamics of light and heavy atoms in the field of an x-ray free-electron laser
Sign Up to like & getrecommendations! Published in 2019 at "Physica Scripta"
DOI: 10.1088/1402-4896/ab097c
Abstract: Simulations of radiation damage in single molecule imaging using a X-ray free electron laser use atomic rates calculated in the lowest order. We investigate the difference in ion yield predictions using Hartree-Fock and Hartree-Fock-Slater pproximations… read more here.
Keywords: ray free; radiation damage; electron laser; fock ... See more keywords
Influence of Fock exchange in combined many-body perturbation and dynamical mean field theory
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.95.245130
Abstract: In electronic systems with long-range Coulomb interaction, the nonlocal Fock-exchange term has a band-widening effect. While this effect is included in combined many-body perturbation theory and dynamical mean field theory (DMFT) schemes, it is not… read more here.
Keywords: combined many; many body; fock exchange; dynamical mean ... See more keywords
Photonic Fock state generation using superradiance.
Sign Up to like & getrecommendations! Published in 2022 at "Optics letters"
DOI: 10.1364/ol.468481
Abstract: Photonic Fock states are the most basic quantum states of a radiation field, but arbitrary number states are still difficult to produce. Here we propose to use superradiant atoms in a chiral waveguide to generate… read more here.
Keywords: state generation; fock; photonic fock; generation using ... See more keywords