Related Experiment Video
Updated: Aug 23, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Variationally stable calculations for molecular systems: polarizabilities and two-photon ionization cross section for
Andréa M Machado1, Mauro Masili
1Instituto de Física de São Carlos, Universidade de São Paulo-USP, Caixa Postal 369, 13 560-970 Sao Carlos, SP, Brazil.
Abstract:
The variationally stable method of Gao and Starace [B. Gao and A. F. Starace, Phys. Rev. Lett. 61, 404 (1988); Phys. Rev. A 39, 4550 (1989)] has been applied for the first time to the study of multiphoton processes in molecular systems. The generalization in theory is presented, as well as the calculation of properties such as the static and dynamic polarizabilities of the hydrogen molecule and the generalized two-photon ionization cross section. The Schwinger variational iterative method [R. R. Lucchese and V. McKoy, Phys. Rev. A 21, 112 (1980)] has been applied in the achievement of the photoelectron wave function, while a Hartree-Fock representation has been used for the target. This research has been motivated by the scarceness of ab initio calculations of molecular multiphoton ionization cross sections in the literature.
More Related Videos
08:54Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on: January 25, 2020
12:11Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Related Concept Videos
Molecular Orbital Theory II
Molecular Geometry and Dipole Moments
π Molecular Orbitals of the Allyl Cation and Anion
Hybridization of Atomic Orbitals I
Calculations of Electric Potential II
Consider a...
MO Theory and Covalent Bonding