Computational Chemistry, Excited State, Gaussian, Models, Quantum Mechanics, Theoretical Chemistry, White papers

Is your Wavefunction stable?

August 10, 2023 — 6 Comments

Mathematics, Philosophy, Quantum Mechanics, Random thoughts, Theoretical Chemistry

The contradictory “complexity” of the wave function

June 6, 2023 — 0 Comments

Computational Chemistry, Gaussian, Tricks, White papers

Quick note on WFN(X) files and MP2 calculations #G09 #CompChem

June 28, 2016 — 5 Comments

Articles, Computational Chemistry, Models, Paper, Quantum Mechanics, Research, Theoretical Chemistry

The Local Bond Order, LBO (Barroso et al. 2004)

August 6, 2012 — 1 Comment