296 citations · 631 across the 14 of their papers we have counts for
11 papers · 1 filter
Non-orthogonal extension of Graspg - dynamic electron correlation for large and compact active spaces
Sijie Wu, Ran Si, Chongyang Chen +3
Accurate relativistic multiconfiguration calculations of correlation-sensitive atomic properties are often limited by the rapid growth of configuration state function expansions wh…
Atomic data benchmarked by Large-scale Multiconfiguration Dirac-Hartree-Fock Calculations for Beryllium
Sijie Wu, Shaowei Tian, Ran Si +6
The multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods are used to provide excitation energies, radiative transition data, lifet…
Atomic determination of the nuclear quadrupole moment using the multi-configuration Dirac-Hartree-Fock method
Jiguang Li, Jacek Bieroń, Michel Godefroid +1
The multiconfiguration Dirac-Hartree-Fock method implemented in the Grasp2018 package was employed to calculate the magnetic dipole hyperfine interaction constants and electric fie…
Graspg -- An extension to Grasp2018 based on Configuration State Function Generators
Ran Si, Yanting Li, Kai Wang +4
The Graspg program package is an extension of Grasp2018 [Comput. Phys. Commun. 237 (2019) 184-187] based on configuration state function generators (CSFGs). The generators keep spi…
Large-scale multiconfiguration Dirac-Hartree-Fock calculations for astrophysics: n=4 levels in P-like ions from Mn~XI to Ni~XIV
C. X. Song, K. Wang, G. Del Zanna +9
Using the multiconfiguration Dirac-Hartree-Fock and the relativistic configuration interaction methods, a consistent set of transition energies and radiative transition data for th…
Large-scale multiconfiguration Dirac-Hartree-Fock calculations for astrophysics: Cl-like ions from Cr~VIII to Zn~XIV
K. Wang, P. Jönsson, G. Del Zanna +4
We use the multiconfiguration Dirac-Hartree-Fock (MCDHF) method combined with the relativistic configuration interaction (RCI) approach (GRASP2K) to provide a consistent set of tra…
Extended Calculations of Spectroscopic Data: Energy Levels, Lifetimes and Transition rates for O-like ions from Cr XVII to Zn XXIII
K. Wang, P. Jönsson, J. Ekman +7
Employing two state-of-the-art methods, multiconfiguration Dirac--Hartree--Fock and second-order many-body perturbation theory, the excitation energies and lifetimes for the lowest…
A Partitioned Correlation Function Interaction approach for describing electron correlation in atoms
S. Verdebout, P. Rynkun, P. Jönsson +3
Traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis (OB). For atoms with complicated shell…
Tensorial form and matrix elements of the relativistic nuclear recoil operator
E. Gaidamauskas, C. Nazé, P. Rynkun +3
Within the lowest-order relativistic approximation () and to first order in , the tensorial form of the relativistic corrections of the nuclear recoil Hamilton…
Exploring Biorthonormal Transformations of Pair-Correlation Functions in Atomic Structure Variational Calculations
S. Verdebout, P. Jönsson, G. Gaigalas +2
Multiconfiguration expansions frequently target valence correlation and correlation between valence electrons and the outermost core electrons. Correlation within the core is often…
Irreducible tensor-form of the relativistic corrections to the M1 transition operator
M. Nemouchi, M. R. Godefroid
The relativistic corrections to the magnetic dipole moment operator in the Pauli approximation were derived originally by Drake (Phys. Rev. A 3(1971)908). In the present paper, we…