In atomic structure and collision theory, the efficient spin-angular integration is known to be crucial and often decides, how accurate the properties and behavior of atoms can be predicted numerically. Various methods have been developed in the past to keep the computation (and implementation) of the spin-angular integration feasible for complex shell structures, including open d- and f-shell elements. To support such computations, we here provide a new implementation of the angular coefficients for jj-coupled and symmetry-adapted configuration states that is entirely built upon the quasi-spin formalism. The module SpinAngular is based on Julia, a new programming language for scientific computing, and supports a simple access to all (compl...
ABSTRACT: In the present article, we outline a simple scheme for generating configuration interactio...
This library (collection of subroutines) is presented for calculating standard quantities in the dec...
In the present article, we outline a simple scheme for generating configuration interaction matrix e...
A general method is described for finding algebraic expressions for matrix elements of any one- and ...
Traditional theory of many-electron atoms and ions is based on the coefficients of fractional parent...
A program library for computing pure spin-angular coefficients for any one- and scalar two-particle ...
Abstract. The traditional theory of many-electron atoms and ions is based on the coefficients of fra...
Transformation matrices between different coupling schemes are required, if a reliable classificatio...
Standard implementations of non-relativistic excited-state calculations compute only one component o...
Different applications of atomic structure theory favour different representations of the many-elect...
A self-consistent-field (SCF) program for the calculation of atomic energies and wave functions defi...
We present the implementation of two-electron spin-spin coupling as a quasidegenerate perturbative t...
Following the work of Giulio Racah and others from the 1940s onward, the rotational symmetry of atom...
The spin of an electron often misleadingly interpreted as the classical rotationof a particle. The q...
We derive general equations for angular coefcients needed to carry out atomic structure computations...
ABSTRACT: In the present article, we outline a simple scheme for generating configuration interactio...
This library (collection of subroutines) is presented for calculating standard quantities in the dec...
In the present article, we outline a simple scheme for generating configuration interaction matrix e...
A general method is described for finding algebraic expressions for matrix elements of any one- and ...
Traditional theory of many-electron atoms and ions is based on the coefficients of fractional parent...
A program library for computing pure spin-angular coefficients for any one- and scalar two-particle ...
Abstract. The traditional theory of many-electron atoms and ions is based on the coefficients of fra...
Transformation matrices between different coupling schemes are required, if a reliable classificatio...
Standard implementations of non-relativistic excited-state calculations compute only one component o...
Different applications of atomic structure theory favour different representations of the many-elect...
A self-consistent-field (SCF) program for the calculation of atomic energies and wave functions defi...
We present the implementation of two-electron spin-spin coupling as a quasidegenerate perturbative t...
Following the work of Giulio Racah and others from the 1940s onward, the rotational symmetry of atom...
The spin of an electron often misleadingly interpreted as the classical rotationof a particle. The q...
We derive general equations for angular coefcients needed to carry out atomic structure computations...
ABSTRACT: In the present article, we outline a simple scheme for generating configuration interactio...
This library (collection of subroutines) is presented for calculating standard quantities in the dec...
In the present article, we outline a simple scheme for generating configuration interaction matrix e...