CONSTRAINED ANISOTROPIC DIPOLE OSCILLATOR STRENGTH DISTRIBUTION TECHNIQUES, AND RELIABLE RESULTS FOR ANISOTROPIC AND ISOTROPIC DIPOLE MOLECULAR-PROPERTIES, WITH APPLICATIONS TO H-2 AND N-2

被引:41
作者
KUMAR, A [1 ]
MEATH, WJ [1 ]
机构
[1] UNIV WESTERN ONTARIO,CTR INTERDISCIPLINARY STUDIES CHEM PHYS,LONDON N6A 3K7,ONTARIO,CANADA
来源
THEORETICA CHIMICA ACTA | 1992年 / 82卷 / 1-2期
关键词
DOSD; ANISOTROPIC CONSTRAINTS; DIPOLE PROPERTIES;
D O I
10.1007/BF01113134
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Constrained anisotropic dipole oscillator strength distribution techniques are discussed and applied to obtain reliable results for a wide variety of the anisotropic and isotropic dipole properties of H-2 and N2. These include the dipole oscillator strength sums S(k), k = 2, 1, - 1/2(-1/2)- 2, 3, -4, . . . , the logarithmic dipole sums L(k) and mean excitation energies I(k), k = 2(-1) -2, and, as a function of wavelength, the dynamic polarizability and the associated anisotropy, the total depolarization ratio, the Rayleigh scattering cross section, and the Verdet constant. The anisotropic components of the DOSD for a molecule are obtained from a given recommended isotropic DOSD by using a constrained least squares procedure and a series of known anisotropic constraints. Assuming that sufficient input is available, the constrained DOSD approach used in this paper is the only available method for the reliable evaluation of all the relevant anisotropic and isotropic dipole properties for a wide variety of atoms and molecules.
引用
收藏
页码:131 / 152
页数:22
相关论文
共 79 条
[41]   COMPLETE DIPOLE OSCILLATOR STRENGTH DISTRIBUTION AND ITS MOMENTS FOR N-2 [J].
KOSMAN, WM ;
WALLACE, S .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (03) :1385-1399
[42]   INEQUALITIES FOR VANDERWAALS FORCE CONSTANTS AND QUANTUM MECHANICAL SUMS [J].
KRAMER, HL .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2783-&
[43]   INTEGRATED DIPOLE OSCILLATOR-STRENGTHS AND DIPOLE PROPERTIES FOR NE, AR, KR, XE, HF, HCL, AND HBR [J].
KUMAR, A ;
MEATH, WJ .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1985, 63 (07) :1616-1630
[44]   DIPOLE OSCILLATOR STRENGTH DISTRIBUTIONS AND PROPERTIES FOR SO2, CS2, AND OCS [J].
KUMAR, A ;
MEATH, WJ .
CANADIAN JOURNAL OF PHYSICS, 1985, 63 (03) :417-427
[45]   DIPOLE PROPERTIES, DISPERSION ENERGY COEFFICIENTS, AND INTEGRATED-OSCILLATOR STRENGTHS FOR SF6 [J].
KUMAR, A ;
FAIRLEY, GRG ;
MEATH, WJ .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (01) :70-77
[46]  
KUMAR A, 1991, IN PRESS MOL PHYS
[47]   MOMENT THEORY BOUNDS FOR SECOND-ORDER OPTICAL PROPERTIES OF ATOMS AND MOLECULES [J].
LANGHOFF, PW .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (07) :2604-+
[48]   COMPARISONS OF DISPERSION FORCE BOUNDING METHODS WITH APPLICATIONS TO ANISOTROPIC INTERACTIONS [J].
LANGHOFF, PW ;
GORDON, RG ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (05) :2126-+
[49]   THEORETICAL-STUDY OF THE EFFECTS OF VIBRATIONAL-ROTATIONAL INTERACTIONS ON THE RAMAN-SPECTRUM OF N2 [J].
LANGHOFF, SR ;
BAUSCHLICHER, CW ;
CHONG, DP .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (09) :5287-5292
[50]   Note on the calculation of van der Waals forces [J].
Margenau, H .
PHYSICAL REVIEW, 1931, 37 (11) :1425-1430