4.7 Article

Reducing the computational load - atomic multiconfiguration calculations based on configuration state function generators

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Optics

Combination of perturbation theory with the configuration-interaction method

M. G. Kozlov et al.

Summary: The current atomic theory provides accurate and reliable results for atoms with a small number of valence electrons. However, most current calculation methods fail when the number of valence electrons exceeds four or five. This means that reliable predictions cannot be made for more than half of the periodic table. Here, we propose a modification of the configuration interaction plus many-body perturbation theory that may be applicable to atoms and ions with partly filled d and f shells.

PHYSICAL REVIEW A (2022)

Article Physics, Atomic, Molecular & Chemical

Structure Calculations in Nd III and U III Relevant for Kilonovae Modelling

Ricardo F. Silva et al.

Summary: The detection of gravitational waves and electromagnetic signals from the neutron star merger GW170817 has provided evidence for the occurrence of r-process nucleosynthesis in these astrophysical events. The electromagnetic signal, known as kilonova, is powered by the radioactive decay of newly synthesized nuclei. However, the characteristics of the kilonova, such as luminosity, color, and spectra, are influenced by the atomic opacities of the elements produced. This study focused on atomic structure calculations for lanthanide and actinide ions, which play a key role in modeling the spectra of kilonovae ejecta. The results showed that the opacity of U III is about an order of magnitude greater than that of Nd III due to the higher density of energy levels in the actinide.
Article Physics, Multidisciplinary

Large Shape Staggering in Neutron-Deficient Bi Isotopes

A. Barzakh et al.

Summary: The mean-square charge radius, magnetic dipole, and electric quadrupole moments of Bi-187, Bi-188, Bi-189, and Bi-191 were measured using in-source resonance-ionization spectroscopy at ISOLDE (CERN). Significant variations in radius were observed in the ground states of Bi-187, Bi-188, Bi-189(g), with a large isomer shift in Bi-188(m) at neutron number N = 10(5). Experimental results were consistent with mean-field calculations, identifying the ground or isomeric states based on blocked quasiparticle configurations.

PHYSICAL REVIEW LETTERS (2021)

Article Astronomy & Astrophysics

Theoretical studies of energy levels and transition data for Zr III

P. Rynkun et al.

ASTRONOMY & ASTROPHYSICS (2020)

Article Physics, Multidisciplinary

Evidence for Nonlinear Isotope Shift in Yb+ Search for New Boson

Ian Counts et al.

PHYSICAL REVIEW LETTERS (2020)

Article Computer Science, Interdisciplinary Applications

GRASP2018-A Fortran 95 version of the General Relativistic Atomic Structure Package

C. Froese Fischer et al.

COMPUTER PHYSICS COMMUNICATIONS (2019)

Article Computer Science, Interdisciplinary Applications

AMBiT: A programme for high-precision relativistic atomic structure calculations

E. V. Kahl et al.

COMPUTER PHYSICS COMMUNICATIONS (2019)

Article Physics, Atomic, Molecular & Chemical

The Effect of Correlation on Spectra of the Lanthanides: Pr3+

Charlotte Froese Fischer et al.

Article Astronomy & Astrophysics

Properties of Kilonovae from Dynamical and Post-merger Ejecta of Neutron Star Mergers

Masaomi Tanaka et al.

ASTROPHYSICAL JOURNAL (2018)

Article Physics, Nuclear

The ISOLDE facility

R. Catherall et al.

JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS (2017)

Article Physics, Atomic, Molecular & Chemical

JJ2LSJ Transformation and Unique Labeling for Energy Levels

Gediminas Gaigalas et al.

Article Computer Science, Interdisciplinary Applications

CI-MBPT: A package of programs for relativistic atomic calculations based on a method combining configuration interaction and many-body perturbation theory

M. G. Kozlov et al.

COMPUTER PHYSICS COMMUNICATIONS (2015)

Article Computer Science, Interdisciplinary Applications

New version: GRASP2K relativistic atomic structure package

P. Jonsson et al.

COMPUTER PHYSICS COMMUNICATIONS (2013)

Article Optics

A partitioned correlation function interaction approach for describing electron correlation in atoms

S. Verdebout et al.

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2013)

Article Optics

Isotope shift in the sulfur electron affinity: Observation and theory

Thomas Carette et al.

PHYSICAL REVIEW A (2010)

Article Computer Science, Interdisciplinary Applications

An MCHF atomic-structure package for large-scale calculations

Charlotte Froese Fischer et al.

COMPUTER PHYSICS COMMUNICATIONS (2007)

Article Physics, Atomic, Molecular & Chemical

Relativistic energy levels, lifetimes, and transition probabilities for the sodium-like to argon-like sequences

Charlotte Froese Fischer et al.

ATOMIC DATA AND NUCLEAR DATA TABLES (2006)

Article Physics, Atomic, Molecular & Chemical

LS-jj transformation matrices for a shell of equivalent electrons

G Gaigalas et al.

ATOMIC DATA AND NUCLEAR DATA TABLES (2003)

Article Computer Science, Interdisciplinary Applications

Pure spin-angular momentum coefficients for non-scalar one-particle operators in jj-coupling

G Gaigalas et al.

COMPUTER PHYSICS COMMUNICATIONS (2002)

Article Chemistry, Multidisciplinary

Fine-structure in 3d4 states of highly charged Ti-like ions

D Kato et al.

JOURNAL OF THE CHINESE CHEMICAL SOCIETY (2001)