Theory of complete orthonormal relativistic vector wave function sets and Slater type relativistic vector orbitals in coordinate, momentum and four-dimensional spaces

[ X ]

Tarih

2009

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

Springer

Erişim Hakkı

info:eu-repo/semantics/closedAccess

Özet

The new analytical relations for the relativistic vector wave functions and Slater type relativistic vector orbitals in coordinate, momentum and four-dimensional spaces are derived using the properties of quasirelativistic vector spherical harmonics introduced by the author in previous paper (I. I. Guseinov, J. Math. Chem., 44, 197 (2008)) and complete orthonormal scalar basis sets of nonrelativistic psi(alpha)-exponential type orbitals (psi(alpha)-ETO), phi(alpha)-momentum space orbitals (phi(alpha)-MSO) and z(alpha)-hyperspherical harmonics (z(alpha)-HSH). The 6-component relativistic vector wave functions obtained are complete without the inclusion of the continuum. The relativistic vector wave function sets and Slater type relativistic vector orbitals are expressed through the corresponding quasirelativistic vector wave functions and Slater vector orbitals, respectively. The analytical formulas are also derived for overlap integrals over Slater type relativistic vector orbitals with the same screening constants in coordinate space.

Açıklama

Anahtar Kelimeler

Vector spherical harmonics, Slater type vector orbitals, Overlap integrals

Kaynak

Journal of Mathematical Chemistry

WoS Q Değeri

Q2

Scopus Q Değeri

Q2

Cilt

45

Sayı

4

Künye