中国科学G辑(英文版)
中國科學G輯(英文版)
중국과학G집(영문판)
SCIENCE IN CHINA (PHYSICS ASTRONOMY)
2003年
3期
321-329
,共9页
molecular dissociation energy%extreme value method%diatomic molecule%vibrational constants
New analytical expression and numerical approach are suggested to calculate dissociation energies De of diatomic molecular states using an extreme value method (EVM). Studies on some electronic states of OH, BH, N2, Br2, ClF and CO molecules show that the accuracy of the EVM dissociation energies depends on the number of correct vibrational constants used in the calculations. The convergence qualities of De are suggested to be an alternative physical criterion to measure the qualities of the various sets of vibrational constants from different literature for the same diatomic state.
