Journal Article10.1088/0953-4075/28/18/010
Calculation of static polarizabilities and hyperpolarizabilities for the atoms He through Kr with a numerical RHF method
J Stiehler,J Hinze +1 more
131
TL;DR: In this paper, the static electric dipole polarizabilities and hyperpolarizabilities for different states of the ground configuration of the atoms He through Kr have been calculated at the restricted Hartree-Fock level using a finite perturbation method.
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Abstract: The static electric dipole polarizabilities and hyperpolarizabilities for different states of the ground configuration of the atoms He through Kr have been calculated at the restricted Hartree-Fock level using a finite perturbation method. The required field-dependent energy and dipole moment data have been computed with a recently developed numerical MCSCP code for atoms in a static electric field.
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Polarizabilities and hyperpolarizabilities for the atoms Al, Si, P, S, Cl, and Ar: Coupled cluster calculations.
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Static dipole polarizabilities (α) and static second hyperpolarizabilities (γ) of the rare gas atoms (He–Rn)
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Table of experimental and calculated static dipole polarizabilities for the electronic ground states of the neutral elements (in atomic units)
Peter Schwerdtfeger
- 01 Jan 2009
TL;DR: In this article, the symmetry of the state is not clearly specified as in Doolen's calculations, the calculation was most likely set at the specific configuration (orbital occupancy) as listed in the Desclaux tables.
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Transport properties in non-equilibrium argon, copper and argon copper thermal plasmas
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References
Electric Dipole Polarizability of Atoms by the Hartree—Fock Method. I. Theory for Closed‐Shell Systems
TL;DR: In this article, a method for the calculation of dipole polarizabilities of closed-shell atomic systems is presented, which involves the direct calculation of the Hartree-Fock wavefunction of the atom in the presence of the perturbing field.
750
MC-SCF. I. The multi-configuration self-consistent-field method
TL;DR: In this paper, the general multi-configuration self-consistent field (MC•SCF) method is presented with no restrictions on the types of configurations participating in the expansion of the total wave function.
326
Finite perturbation calculations for the static dipole polarizabilities of the first-row atoms
TL;DR: In this article, the static dipole polarizabilities are calculated from self-consistent field and highly correlated wave functions for the ground states of the atoms Li through Ne, and the correlation contributions to the polarizability are found to vary between -16% for Be and + 14% for F.
322
Kerr effect in inert gases and sulphur hexafluoride
A. D. Buckingham,D. A. Dunmur +1 more
TL;DR: In this paper, the second hyperpolarizability was measured at a series of pressures in helium, neon, argon, krypton, xenon and sulphur hexafluoride, and values for the second Kerr virial coefficients were obtained.
232
Excitation of the fine-structure transitions of C in collisions with ortho- and para-H2
TL;DR: In this paper, the results of ab initio (SCF and CEPA) calculations of the interaction potentials for the C(3P)-H2(1 Sigma g+) system were presented.
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