Article ID Journal Published Year Pages File Type
5382698 Chemical Physics Letters 2012 8 Pages PDF
Abstract
► First ever utilization of various Morse coherent states in chemical dynamics. ► Single-determinantal level results are comparable to multi-reference level ones. ► Nuclear classical-mechanics results are comparable to quantum VCC-RIOS results. ► Better experimental rainbow angle prediction than that by VCC-RIOS. ► Experimental differential cross sections prediction comparable to those by VCC-RIOS.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
H+ + NO(vi = 0) → H+ + NO(vf = 0-2) at ELab = 30 eV with canonical and Morse coherent states
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