✦ LIBER ✦

HF SCF electric polarizabilities and hyperpolarizabilities for the ground state of the hydrogen molecule

✍ Scribed by George Maroulis; David M. Bishop

Publisher: Elsevier Science
Year: 1986
Tongue: English
Weight: 339 KB
Volume: 128
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(86)80654-6

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✦ Synopsis

Using Hartree-Fock SCF wavefunctions all independent components of ah ebctric polarinability and hyperpohuizability tensors up to the fourth rank have been calculated for the ground state of the hydrogen molecule. Our values for the isotropic components of the c1,7, C and B tensors are 5.13 e2 a$ Ei' ,683 e4 (12 EG3, 8.03 e2 a$ Eir and -76.4 e3 at Eh2 at the experimental internuclear separation of 1.401146 ao.

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