Repositorios 6

Configuration interactions 24 Wave functions 18 Configuration interaction method 12 Quantum chemistry 10 Ground state 9 Expectation values 8 Slater determinants 8 Configuration interaction 7 Atoms 6 Computational costs 6 Excited states 6 Física 6 Molecular orbitals 6 Natural orbitals 6 Optimization 6 Quantum theory 6 Basis sets 4 Change of basis 4 DOCI 4 Eigenvalues and eigenfunctions 4 Electric fields 4 Electronic structure 4 Electrons 4 Electrospinning 4 Full configuration interaction 4 Ground-state energies 4 Magnetic moments 4 Matrix algebra 4 Mean values 4 Numerical methods 4