Published February 11, 1980
| Version v1
Journal article
A variational method for second-order properties in atoms and molecules
- 1. Bologna Univ. (Italy)
- 2. Bologna Univ. (Italy). Ist. di Fisica
- 3. Istituto Nazionale di Fisica Nucleare, Bologna (Italy)
Description
Second-order properties are computed by diagonalizing a perturbed Hamiltonian in a three-dimensional linear space L. The choice of the basis vectors generating L is suggested by the coupled perturbed Hartree-Fock (CPHF) method. A test numerical computation on the dipole polarizability of the H2 molecule is presented. The method can be considered as an improvement of the CPHF method. (author)
Additional details
Publishing Information
- Journal Title
- Nuovo Cim., B
- Journal Volume
- 55
- Journal Issue
- 2
- Series
- Nuovo Cim., B.
- Journal Page Range
- 283-290
- ISSN
- 0369-3554
INIS
- Country of Publication
- Italy
- Country of Input or Organization
- Italy
- INIS RN
- 13687789
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ATOMS; ELECTRIC DIPOLE MOMENTS; HAMILTONIANS; HARTREE-FOCK METHOD; HYDROGEN; MOLECULES; PERTURBATION THEORY; POLARIZABILITY; VARIATIONAL METHODS; WAVE FUNCTIONS
- Descriptors DEC
- DIPOLE MOMENTS; ELECTRIC MOMENTS; ELECTRICAL PROPERTIES; ELEMENTS; FUNCTIONS; MATHEMATICAL OPERATORS; NONMETALS; PHYSICAL PROPERTIES; QUANTUM OPERATORS