A general program for computing matrix elements in atomic structure with nonorthogonal orbitals

DOI10.1016/0010-4655(96)00079-3zbMATH Open0926.65091OpenAlexW2076803250MaRDI QIDQ1294660FDOQ1294660

Authors: Oleg Zatsarinny 

Publication date: 30 November 1999

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0010-4655(96)00079-3

Recommendations

• A general program for computing angular integrals of the Breit-Pauli Hamiltonian with non-orthogonal orbitals
• Calculation of reduced coefficients and matrix elements in \(jj\)-coupling
• A Fortran program to calculate the matrix elements of the Coulomb interaction involving hydrogenic wave functions
• The evaluation of transition matrix elements for atomic excitations by a screened Coulomb potential

zbMATH Keywords

transition probabilitiesbound statematrix elementswave functionnonorthogonalityatomic structureSlater determinantscomplex atomsLS-couplingmultipole transitionsstates integralsvector-coupling coefficients

Mathematics Subject Classification ID

Nuclear physics (81V35) PDEs in connection with quantum mechanics (35Q40) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Atomic physics (81V45)

Cites Work

• Title not available (Why is that?)

Cited In (14)

• A detailed derivation of Gaussian orbital-based matrix elements in electron structure calculations
• The evaluation of transition matrix elements for atomic excitations by a screened Coulomb potential
• A Fortran program to calculate the matrix elements of the Coulomb interaction involving hydrogenic wave functions
• Calculation of reduced coefficients and matrix elements in \(jj\)-coupling
• First-order semidefinite programming for the two-electron treatment of many-electron atoms and molecules
• A general program for computing angular integrals of the Breit-Pauli Hamiltonian with non-orthogonal orbitals
• FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions
• BSR: B-spline atomic R-matrix codes
• The effective operator for atomic level widths due tol₁^N₁l₂^N₂→l₁^N₁+1l₂^N₂−2εl₃Auger transitions
• Evaluation of Hamiltonian two-body matrix elements
• A parallel R-matrix program PRMAT for electron-atom and electron-ion scattering calculations
• CONUNDrum: a program for orbital-free density functional theory calculations
• Comparison of two different integration methods for the (1+1)-dimensional Schrödinger-Poisson equation
• Nonrelativistic numerical MCSCF for atoms

This page was built for publication: A general program for computing matrix elements in atomic structure with nonorthogonal orbitals

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q1294660)