Ab initio effective core potentials: Reduction of all-electron molecular structure calculations to calculations involving only valence electrons

Luis R. Kahn, Paul Baybutt, Donald G. Truhlar

Research output: Contribution to journalArticlepeer-review

410 Scopus citations

Fingerprint

Dive into the research topics of 'Ab initio effective core potentials: Reduction of all-electron molecular structure calculations to calculations involving only valence electrons'. Together they form a unique fingerprint.

Chemical Compounds

Physics & Astronomy