EVALUATION OF CROSS-SECTIONS FOR X-RAY AND HIGH-ENERGY ELECTRON-SCATTERING FROM MOLECULAR-SYSTEMS

被引：16

作者：

WANG, JH

SMITH, VH

机构：

[1] Department of Chemistry, Queen's University, Kingston, Ontario

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1994年 / 52卷 / 05期

关键词：

D O I：

10.1002/qua.560520503

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：

An analytical and computationally efficient formalism for the evaluation of rotationally averaged cross sections for X-ray and high-energy electron scattering from molecular systems is given. Its application for both SCF and CI wave functions is discussed. (C) 1994 John Wiley & Sons, Inc.

引用

收藏

页码：1145 / 1151

页数：7

相关论文

共 15 条

[1] EXPERIMENTAL-DETERMINATION OF GROUND-STATE CORRELATION-EFFECTS IN MOLECULAR NITROGEN [J].

BARBIERI, RS ;

BONHAM, RA .

PHYSICAL REVIEW A, 1991, 44 (11) :7361-7378

[2] CORRELATION AND X-RAY SCATTERING. .1. DENSITY MATRIX FORMULATION [J].

BENESCH, R ;

SMITH, VH .

ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1970, A 26 (NOV1) :579-&

[3]

Benesch R., 1973, WAVE MECH THE 1 50 Y, P357

[4]

BONHAM RA, 1974, HIGH ENERGY ELECTRON

[5]

BONHAM RA, 1974, INT TABLES XRAY CRYS, V1

[6] COMPARISON OF OBSERVED AND CALCULATED ELECTRON-DENSITIES .20. CI CALCULATIONS OF ELECTRON-SCATTERING CROSS-SECTIONS FOR SOME LINEAR-MOLECULES [J].

BREITENSTEIN, M ;

ENDESFELDER, A ;

MEYER, H ;

SCHWEIG, A .

CHEMICAL PHYSICS LETTERS, 1984, 108 (05) :430-434

[7] COMPARISON OF OBSERVED AND CALCULATED ELECTRON-DENSITIES .28. CI CALCULATIONS OF ELECTRON AND X-RAY-SCATTERING CROSS-SECTIONS OF NONLINEAR MOLECULES - H2O AND NH3 [J].

BREITENSTEIN, M ;

MEYER, H ;

SCHWEIG, A .

CHEMICAL PHYSICS, 1987, 112 (02) :199-203

[8] COMPARISON OF OBSERVED AND CALCULATED ELECTRON-DENSITIES .26. VIBRATIONAL EFFECTS ON ELECTRON-MOLECULE SCATTERING FOR POLYATOMICS IN THE 1ST BORN APPROXIMATION - H2O [J].

BREITENSTEIN, M ;

MAWHORTER, RJ ;

MEYER, H ;

SCHWEIG, A .

MOLECULAR PHYSICS, 1986, 57 (01) :81-88

[9]

DAVIDSON E, 1990, MODERN TECHNIQUES CO, P553

[10]

FINK M, 1986, INT J QUANTUM CHEM S, V20, P613