Very large amplitude intermolecular vibrations and wave function delocalization in 2,3-dimethylnaphthalene⋅He van der Waals complex

1997 ◽  
Vol 107 (21) ◽  
pp. 8781-8793 ◽  
Author(s):  
Andreas Bach ◽  
Samuel Leutwyler ◽  
Dubravko Sabo ◽  
Zlatko Bačić
Keyword(s):  
Wave Function ◽  
Large Amplitude ◽  
Van Der Waals ◽  
Van Der Waals Complex ◽  
Intermolecular Vibrations

Theoretical study of the rovibrational spectrum of He2–OCS

2010 ◽  
Vol 88 (8) ◽  
pp. 779-786 ◽  
Author(s):  
Xiao-Gang Wang ◽  
Tucker Carrington,
Keyword(s):  
Dipole Moment ◽  
Large Amplitude ◽  
Theoretical Study ◽  
Van Der Waals ◽  
Potential Functions ◽  
Experimental Results ◽  
Basis Sets ◽  
Van Der Waals Complex ◽  
Good Agreement

We report calculated microwave and infrared rovibrational transitions of the van der Waals complex He2–OCS. The calculations were done using a product basis, a Lanczos eigensolver, and potentials built from He–OCS, and He–He potential functions taken from the literature. All five of the large amplitude coordinates are treated exactly and calculations are done for J values up to five. All rovibrational levels are converged to 0.001 cm–1 by using basis sets with as many as 87 million funcions. Good agreement is found with previously reported experimental results. Although we assume that the dipole moment is along the OCS axis, we find transitions with appreciable intensity between different torsion states.

Intermolecular vibrations of the van der Waals complex pC6H4FCH3…Ar

1997 ◽  
Vol 218 (3) ◽  
pp. 325-330 ◽  
Author(s):  
Yihua Hu ◽  
Wenyun Lu ◽  
Yang Shihe
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Complex ◽  
Intermolecular Vibrations

Infrared diode laser jet spectroscopy of the van der Waals complex (N2O)2

1997 ◽  
Vol 91 (4) ◽  
pp. 689-696 ◽  
Author(s):  
HAI-BO QIAN ◽  
WOUTER HERREBOUT ◽  
BRIAN HOWARD
Keyword(s):  
Diode Laser ◽  
Van Der Waals ◽  
Van Der Waals Complex
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