Computation of rotation matrices making lined-up to the local Cartesian coordinates

Küçük Resim Yok

Tarih

2007

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

CHINESE CHEMICAL SOC

Erişim Hakkı

info:eu-repo/semantics/closedAccess

Özet

Rotation matrices were expressed in terms of Gaunt coefficients and complex spherical harmonics. The rotation matrices were calculated using two different ways. In the first, Gaunt coefficients and normalized complex spherical harmonics were directly calculated using binomial coefficients; in the second, Gaunt coefficients and complex spherical harmonics were recursively calculated. The methods were compared with respect to accuracy and computation time (CPU) for low and very high quantum numbers.

Açıklama

Anahtar Kelimeler

rotation matrices, gaunt coefficients, spherical harmonics, binomial coefficients

Kaynak

JOURNAL OF THE CHINESE CHEMICAL SOCIETY

WoS Q Değeri

Q3

Scopus Q Değeri

Q3

Cilt

54

Sayı

5

Künye