Solvent Models in Molecular Quantum Chemistry Calculations - Session 8

Explore solvent models in molecular quantum chemistry calculations with Prof. John Herbert from Ohio State University. Delve into continuum electrostatics, electrostatic solvation energies, and various solvent models. Examine error statistics, vertical ionization, and excitation energies. Learn about the philosophy behind these models and their practical applications through examples. This 28-minute conference talk, part of the Q-Chem Workshop in the 2023 Virtual Winter School in Computational Chemistry, provides valuable insights for researchers and students in the field of computational chemistry.

Intro
Statement of Philosophy
Continuum electrostatics
electrostatic solvation energies
Example
Solvent Models
Error Statistics
Vertical Ionization
Phenomenology
Excitation energies
Questions