Article ID Journal Published Year Pages File Type
5386154 Chemical Physics Letters 2010 5 Pages PDF
Abstract
► New estimate of the fundamental vibrational transition in D2 molecule based on available experimental data is 2993.6108(30) cm-1. ► The inclusion of the relativistic corrections to the transition energy of D2 worsens the agreement between the theory and experiment. ► 0→1 vibrational transitions in D2 and T2 calculated with the inclusion of the relativistic corrections overestimate the experiment by about 0.01-0.02 cm-1. ► α3 QED corrections need to be included in calculations in order to improve the theoretical estimates of the vibrational frequencies.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
, , , ,