A. Bargholz

发表

Perturbation Expansion of Internally Contracted Coupled-Cluster Theory up to Third Order.

Daniel Kats, Hans-Joachim Werner, Andreas Köhn, 2019, Journal of chemical theory and computation.

Spectroscopic and thermochemical properties of the c-C6H7 radical: a high-level theoretical study.

P. Botschwina, A. Bargholz, R. Oswald, 2013, The Journal of chemical physics.

FHF- isotopologues: highly anharmonic hydrogen-bonded systems with strong Coriolis interaction.

P. Botschwina, A. Bargholz, R. Oswald, 2013, The journal of physical chemistry. A.

The second-order approximate internally contracted multireference coupled-cluster singles and doubles method icMRCC2.

Andreas Köhn, A. Köhn, A. Bargholz, 2019, The Journal of chemical physics.