TY - JOUR
T1 - AB initio calculations on intermolecular forces. The systems He...HF and He...H2O
AU - Lischka, Hans
N1 - Funding Information:
The author is indebted to Professor Dr. W. Kutzel-nigg and Dr. R. Ahlrichs for the many stimulating discussions during the course of this work. A research fellowship granted by the “Alexander-von-Humboldt-Stiftung” is gratefully acknowledged. This research was supported in part by the “Deutsche Forschungs-gemeinschaft” and the “Fends der Chemie”.
PY - 1973/7/1
Y1 - 1973/7/1
N2 - The interaction energy between a He atom and a polar molecule (HF, H2O) is calculated with a gaussian basis set both in the SCF approximation and with the inclusion of the intersystem correlation energy. The long range behaviour of the interaction energy is compared with results from perturbation theory.
AB - The interaction energy between a He atom and a polar molecule (HF, H2O) is calculated with a gaussian basis set both in the SCF approximation and with the inclusion of the intersystem correlation energy. The long range behaviour of the interaction energy is compared with results from perturbation theory.
UR - http://www.scopus.com/inward/record.url?scp=4244026672&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(73)85195-4
DO - 10.1016/0009-2614(73)85195-4
M3 - Article
AN - SCOPUS:4244026672
SN - 0009-2614
VL - 20
SP - 448
EP - 453
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 5
ER -