In this work we present results for the dipole moment, polarizability and first hyperpolarizability of the NaH molecule obtained through the many-body perturbation-theory, coupled cluster and quadratic configuration interaction methods, including vibrational corrections. It is shown that the nuclear
Polarization functions for the calculations of polarizability and hyperpolarizability. Application to the helium atom and the hydrogen molecule
โ Scribed by N. El Bakali Kassimi; M. Tadjeddine; J.P. Flament; G. Berthier; H.P. Gervais
- Book ID
- 113257553
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 911 KB
- Volume
- 254
- Category
- Article
- ISSN
- 0166-1280
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๐ SIMILAR VOLUMES
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
Hartrex-Fock (DHF) theory hds been used with several different basis sels to evaluate the &pole. qundrupole and octupole polanzabiliGes of methane through the second dipole hyperpolanwbility. While [or aloms and cerlam dlatomic molecules. il is well estabhshed that dipole polarizab~lities and possib