Universal dissociation energy relationships for diatomic molecules

✍ Scribed by J.L. Gázquez; Robert G. Parr

• Publisher: Elsevier Science
• Year: 1979
• Tongue: English
• Weight: 248 KB
• Volume: 66
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(79)80308-5

✦ Synopsis

N here It' is the Born-Oppenheimer vibrationsl poten-tL1 cncrgq. pp(a) is the electron density dt ~lucleus 0: due to the part of the electron density which perfectly follows nucleus Q during the vibmtion, and simdariy for P,@}. $ve good estimates of both harmonic aud anhsrtnomc vibrational force const,mts for actual dbtomic ntoiecnks_ -r&us It WIS shown 121 that assuming pa&) and p,@) to be exponenti&@ decaying at R with the sane decay * didud by rcsenrch grants ro T& Johns ff opkins UniversitY and The Unhcrsity of North Carolina f:om the National Science Found;ltion and the National Insdtutes OC He;lhb-** Prwxtt addresy Fact&cd de Qnimim, Universidrtd -~zi~o~~ -%ut&oms de Y&co, $&ico 20 D-i-.