Results 1 to 10 of about 205,731 (294)
Short range correlations and the isospin dependence of nuclear correlation functions [PDF]
Physics Letters B, 2018 Pair densities and associated correlation functions provide a critical tool for introducing many-body correlations into a wide-range of effective theories.
R. Cruz-Torres +7 more
doaj +4 more sources
Bayesian optimization for the inverse scattering problem in quantum reaction dynamics
New Journal of Physics, 2019 We propose a machine-learning approach based on Bayesian optimization to build global potential energy surfaces (PES) for reactive molecular systems using feedback from quantum scattering calculations.
R A Vargas-Hernández +3 more
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Use of the group theory for classification of electronic states of acetylene [PDF]
Journal of the Serbian Chemical Society, 2003 The electronic states of the acetylene molecule are classified employing the group theory combined with the use of the Walsh diagrams and some elementary quantum chemical considerations.
MILJENKO PERIC, STANKA JEROSIMIC
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Ab initio Calculations of Lepton-Nucleus Scattering
Frontiers in Physics, 2020 The advent of high precision measurements of neutrinos and their oscillations calls for accurate predictions of their interactions with nuclear targets utilized in the detectors.
Noemi Rocco, Noemi Rocco
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Ab initio Gamow shell-model calculations for dripline nuclei
He jishu, 2023 We developed a Gamow shell model based on first principles and successfully applied it to the nuclei around driplines. Herein, we review the theoretical and technical developments of this method. Starting from the realistic nuclear forces, the model uses
ZHANG Shuang, GENG Yifang, XU Furong
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, 2017 Due to the difficulties found in the direct solution of the Schrodinger equation, different simplified approaches were proposed and are nowadays widely used. Among them, those most usually employed are the Hartree–Fock and the Density Functional Theory, which we revisit in the present chapter.
Chinesta, Francisco +1 more
openaire +3 more sources
Ab initio calculation of inelastic scattering [PDF]
Physical Chemistry Chemical Physics, 2017 We calculate nonresonant inelastic electron and X-ray scattering cross sections for bound-to-bound transitions in atoms and molecules fromab initioelectronic wavefunctions.
Andrés Moreno Carrascosa +1 more
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Ab initio calculation of 7Li photodisintegration [PDF]
Physics Letters B, 2004 11 pages with 3 ...
Bacca, Sonia +4 more
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Raman spectra of BN-nanotubes: Ab-initio and bond-polarizability model calculations [PDF]
, 2005 We present it ab-initio calculations of the non-resonant Raman spectra of zigzag and armchair BN nanotubes. In comparison, we implement a generalized bond-polarizability model where the parameters are extracted from first-principles calculations of the ...
Lazzeri, Michele +3 more
core +5 more sources
Ab initio calculations of dilithiopropenes [PDF]
Proceedings of the National Academy of Sciences, 1982 Ab initio molecular orbital calculations with the 3-21G basis set show the most stable dilithiopropene structure to be the di-π lithium-bridged structure VI of 1,3-dilithiopropene. This structure is most simply regarded as an ion triplet of two lithium cations and a propenylidene dianion.
D, Kost +3 more
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