6533b857fe1ef96bd12b4d39

RESEARCH PRODUCT

Finite perturbation calculations for the static dipole polarizabilities of the first-row atoms

Wilfried MeyerHans-joachim Werner

subject

PhysicsDipoleNeonchemistryPhysics::Atomic and Molecular ClustersPerturbation (astronomy)chemistry.chemical_elementPhysics::Atomic PhysicsAtomic physicsWave functionMolecular physics

description

Static dipole polarizabilities are calculated from self-consistent-field and highly correlated wave functions for the ground states of the atoms Li through Ne. The correlation contributions to the polarizabilities are found to vary between -16% for Be and + 14% for F. The polarizabilities as obtained from the coupled-electron-pair approximation are expected to be accurate to about 2%.

https://doi.org/10.1103/physreva.13.13