Issues

• Configurations should yield configuration average energies

  JuliaAtoms/AtomicStructure.jl#15 · Filter by author jagot opened on Sep 23, 2020

• Move orbital integrals to EnergyExpressions.jl

  JuliaAtoms/AtomicStructure.jl#12 · Filter by author jagot opened on Oct 21, 2019

• Correct similarity transforms of operators

  JuliaAtoms/AtomicStructure.jl#11 · Filter by author jagot opened on Aug 28, 2019

• get_operator unit tests

  JuliaAtoms/AtomicStructure.jl#9 · Filter by author jagot opened on Jun 24, 2019

• Non-orthogonalities not considered when generating projectors

  JuliaAtoms/AtomicStructure.jl#8 · Filter by author jagot opened on May 28, 2019

• Observables printed as energies, regardless of operator

  JuliaAtoms/AtomicStructure.jl#7 · Filter by author jagot opened on Apr 29, 2019

• Move the lazy matmuls to LazyArrays

  JuliaAtoms/AtomicStructure.jl#6 · Filter by author jagot opened on Mar 6, 2019

• Screened hydrogenic orbitals as starting guess

  JuliaAtoms/AtomicStructure.jl#4 · Filter by author jagot opened on Feb 15, 2019

• Multipole expansion of Slater potentials for spin-configuration atoms

  JuliaAtoms/AtomicStructure.jl#2 · Filter by author jagot opened on Jan 21, 2019

• Norm of atoms

  JuliaAtoms/AtomicStructure.jl#1 · Filter by author jagot opened on Jan 18, 2019