Theoretical study of the dipole moment, polarizability, and their derivatives for the CO molecule

✍ Scribed by K.K. Sunil; K.D. Jordan

• Publisher: Elsevier Science
• Year: 1988
• Tongue: English
• Weight: 477 KB
• Volume: 145
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(88)80194-5

✦ Synopsis

Many-body perturbation theory and coupled-cluster theory are used to determine the dipole moment, polarizabilities, and their derivatives with respect to internuclear separation for the CO molecule. There are sizable errors in the dipole moment and its derivative when evaluated in the MP4(SDTQ) approximation. Significantly improved results are obtained in the CCD+ST(CCD) approximation.