Rydberg–Klein–Rees inversion of high resolution van der Waals infrared spectra: An intermolecular potential energy surface for Ar+HF (v=1)

1989 ◽  
Vol 90 (9) ◽  
pp. 4855-4864 ◽  
Author(s):  
David J. Nesbitt ◽  
Mark S. Child ◽  
David C. Clary
Keyword(s):  
High Resolution ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Infrared Spectra ◽  
Energy Surface ◽  
Van Der Waals ◽  
Intermolecular Potential

Intermolecular configurations dominated by quadrupole–quadrupole electrostatic interactions: explicit correlation treatment of the five-dimensional potential energy surface and infrared spectra for the CO–N2 complex

2018 ◽  
Vol 20 (3) ◽  
pp. 2036-2047 ◽  
Author(s):  
Jing-Min Liu ◽  
Yu Zhai ◽  
Xiao-Long Zhang ◽  
Hui Li
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Infrared Spectra ◽  
Electrostatic Interactions ◽  
Energy Surface ◽  
Experimental Results ◽  
Intermolecular Potential ◽  
Quantum Mechanical ◽  
Explicit Correlation ◽  
Good Agreement

Quantum mechanical average over rovibrational wavefunction based on new intermolecular potential energy surface has been done to get molecular alignment for CO–N2 complex, which is in good agreement with experimental results.

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