Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringence
Abstract
We present the results of the first gauge-origin independent calculations, carried out at Hartree–Fock level, of the molecular parameters that describe the electric-field-induced linear birefringence, also known as Buckingham birefringence. Focus is in particular on the temperature-independent contribution to the observable. We employ a recently developed analytical scheme for calculating frequency-dependent molecular properties of arbitrary order for self-consistent field methods using basis sets that depend explicitly on the frequency and on the external perturbations. The method is applied to