PNO-Cl (pair natural-orbital configuration interaction) and CEPA-PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. III. The molecules MgH2, AlH3, SiH4, PH3 (planar and pyramidal), H2S, HCl, and the Ar atom

R. Ahlrichs, F. Keil, H. Lischka, W. Kutzelnigg, V. Staemmler

Research output: Contribution to journalArticlepeer-review

Fingerprint Dive into the research topics of 'PNO-Cl (pair natural-orbital configuration interaction) and CEPA-PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. III. The molecules MgH<sub>2</sub>, AlH<sub>3</sub>, SiH<sub>4</sub>, PH<sub>3</sub> (planar and pyramidal), H<sub>2</sub>S, HCl, and the Ar atom'. Together they form a unique fingerprint.

Chemical Compounds

Physics & Astronomy