A new method to analyze and understand molecular linear and nonlinear optical responses via Field-Induced Functions. A straightforward alternative to Sum-Over-States (SOS) analysis

Phys. Chem. Chem. Phys., 2019, Accepted Manuscript DOI: 10.1039/C8CP07362G, PaperNicol ás Otero, Panagiotis Karamanis, Marcos Mandado Sum-Over-States (SOS) method allows the computation of polarizabilities and hyperpolarizabilities, additively, from the contributions of different electronic excited states in a given molecule or cluster. Subsequent analysis of the main... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - February 20, 2019 Category: Chemistry Authors: Nicol ás Otero Source Type: research