Atomic static multipole polarizabilities

Shukla, G. C.; Easa, S. I.

doi:10.1016/0038-1098(78)90762-7

Cited by 12 publications

(15 citation statements)

References 10 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…On the other hand, the expression for azL(0) as given by Eq. (18) equals twice the value of azL(0) which was worked out by Pauling [8] about half a century ago and it is identical to our expression [9] obtained by our extension of the Rivial and Rinaldi scheme.…”

Section: Fl(r)= Clrl+c2rlc1+c3rl+2+c4rl+3+c5rl+4;supporting

confidence: 85%

Dispersion interaction between helium pair from hydrodynamic analogy to quantum mechanics

Shukla

Easa

1979

Int J of Quantum Chemistry

View full text Add to dashboard Cite

AbstractsFrequency-dependent multipole polarizabilities of the He sequence have been calculated from a hydrodynamic model o f quantum mechanics and using an independent-particle model Hamiltonian. Our present scheme is parallel to the uncoupled Hartree-Fock approximation so our values of poiarizabilities, multipole transition energies and dispersion force coefficients between the He-He pair are comparable with earlier works using the uncoupled Hartree-Fock approximation.On a calculi des polarisabilitts multipolaires dtpendantes de la frtquence pour la d r i e de He a partir d'un modkle hydrodynamique de la me'canique quantique dans le cadre d'un Hamiftonien de particules indtpendantes. Notre mtthode est tquivaiente i! I'approximation de Hartree-Fock noncouplte, ce qui veut dire, que nos valeurs des polarisabilitts, des Cnergies de transition et des coefficients pour les forces de dispersion sont comparabIes aux re'sultats pr6ctdents obtenus par cette approximation.Frequenzabhangige Multipolpolarisierbarkeiten fiir die He-Folge sind mittels eines hydrodynamischen Modells der Quantenmechanik im Rahmen eines Hamiltonoperators fur unabhangige Teilchen berechnet worden. Unser Verfahren ist der ungekoppelten Hartree-Fock-Niiherung aquivalent und deswegen sind unsere Werte fur die Polarisierharkeiten, die Ubergangsenergien und die Dispersionskraftkoeffizienten mit fruheren Ergebnissen dieser Naherung vergleichbar.

show abstract

Section: Fl(r)= Clrl+c2rlc1+c3rl+2+c4rl+3+c5rl+4;supporting

confidence: 85%

Dispersion interaction between helium pair from hydrodynamic analogy to quantum mechanics

Shukla

Easa

1979

Int J of Quantum Chemistry

View full text Add to dashboard Cite

show abstract

“…Following Shukla and Easa [24], we consider the perturbation element -F L V L , where F L expresses the external field and…”

Section: Variational Perturbation Calculationsmentioning

confidence: 99%

The variation of multipole polarizability at the surface of alkaline earth oxides and sulfides

Al-Mulla

2005

Physica Status Solidi (b)

View full text Add to dashboard Cite

PACS 68.35.Bs, 73.20.At, 77.22.Ej Multipole polarizabilities of O 2-and S 2-ions at the {100}, {110} and {111} surfaces of oxides and sulfides of rocksalt structure were calculated variationally using the Kirkwood-Pople-Schofield (KPS) approach, and the method of Parry of calculating the electrostatic potential in the surface region of an ionic crystal. These results including various effects such as relaxation and rumpling were compared with bulk values for these systems. The initial wavefunctions of Harker have been used in the calculations.

show abstract

“…Following Shukla and Easa [14], we consider the perturbation element -F L V L , where F L expresses the external field and…”

Section: Variational Perturbation Calculationsmentioning

confidence: 99%

An extended KPS method for calculating multipole polarizabilities – application to crystalline ions

Al-Mulla

2003

Physica Status Solidi (b)

View full text Add to dashboard Cite

The improvement proposed by Shukla and Easa to the variational calculation of the multipole polarizabilities of atoms and ions has been applied to the Kirkwood-Pople-Schofield approach, to derive a general form of this variational techniqes. This form has been applied to calculate the polarizabilities of free atoms and ions and for atoms and ions in crystalline environments. The accuracy of the results in the KPS method depends on the quality of the initial wavefunction of a given system.

show abstract

Atomic static multipole polarizabilities

Cited by 12 publications

References 10 publications

Dispersion interaction between helium pair from hydrodynamic analogy to quantum mechanics

Dispersion interaction between helium pair from hydrodynamic analogy to quantum mechanics

The variation of multipole polarizability at the surface of alkaline earth oxides and sulfides

An extended KPS method for calculating multipole polarizabilities – application to crystalline ions

Contact Info

Product

Resources

About