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Bounds to excitation energies of H in the presence of long range dispersion forces
Author(s) -
Abdulnur Suheil F.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560050822
Subject(s) - atomic physics , excitation , range (aeronautics) , london dispersion force , atom (system on chip) , chemistry , inert gas , dispersion (optics) , inert , ground state , physics , molecule , quantum mechanics , materials science , van der waals force , organic chemistry , computer science , composite material , embedded system
Using a method based on inner projections and operator inequalities, techniques for finding upper and lower bounds to the long range interaction constant are described. Bounds are presented for the effect of such an interaction on the transitions: 1s → 2 p z , 2 s → 3 p z and 1 s → 3 p z in H in the presence of a number of inert gas atoms in their ground states. The results show that the long range forces cause a frequency red shift in all three transitions. This shift increases with increasing atomic number of the inert gas atom and is largest for the transition with the highest frequency among the various possible transitions between a considered set of states.