AN EFFICIENT METHOD FOR CALCULATING MOLECULAR RADIATIVE INTENSITIES IN THE VUV AND SOFT-X-RAY WAVELENGTH REGIONS

被引：45

作者：

AGREN, H ^{[1
]}

FLORESRIVEROS, A ^{[1
]}

JENSEN, HJA ^{[1
]}

机构：

[1] AARHUS UNIV, DEPT CHEM, DK-8000 AARHUS, DENMARK

来源：

PHYSICA SCRIPTA | 1989年 / 40卷 / 06期

关键词：

D O I：

10.1088/0031-8949/40/6/008

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：745 / 750

页数：6

共 26 条

[1] X-RAY-EMISSION OF THE NITROGEN MOLECULE FOLLOWING PHOTON OR ELECTRON-IMPACT - A THEORETICAL-STUDY USING CONFIGURATION-INTERACTION WAVEFUNCTIONS [J].

AGREN, H ;

ARNEBERG, R ;

MULLER, J ;

MANNE, R .

CHEMICAL PHYSICS, 1984, 83 (1-2) :53-67

[2] VALENCE ELECTRON-STRUCTURE OF THE SF6 AND CS2 MOLECULES, STUDIED IN HIGH-RESOLUTION X-RAY-EMISSION [J].

AGREN, H ;

NORDGREN, J ;

SELANDER, L ;

NORDLING, C ;

SIEGBAHN, K .

PHYSICA SCRIPTA, 1978, 18 (06) :499-505

[3] EVALUATION OF 1ST-ORDER AND 2ND-ORDER NONADIABATIC COUPLING ELEMENTS FROM LARGE MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD WAVE-FUNCTIONS [J].

AGREN, H ;

FLORESRIVEROS, A ;

JENSEN, HJA .

PHYSICAL REVIEW A, 1986, 34 (06) :4606-4614

[4] RADIATIVE ELECTRON REARRANGEMENT AND HOLE-MIXING EFFECTS IN MOLECULAR X-RAY-EMISSION [J].

AGREN, H ;

ARNEBERG, R .

PHYSICA SCRIPTA, 1983, 28 (01) :80-85

[5]

AGREN H, 1978, THEOR CHIM ACTA, V58, P499

[6]

DUIJNEVELDT FB, 1971, IBM J RES DEV, P945

[7] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

[8]

DUNNING TH, 1987, J CHEM PHYS, P431

[9] A DIABATIC MODEL FOR PHOTOIONIZATION - APPLICATION TO THE INNER VALENCE X-RAY PHOTOELECTRON-SPECTRUM OF ACETYLENE [J].

FLORESRIVEROS, A ;

AGREN, H ;

BRAMMER, R ;

JENSEN, HJA .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11) :6270-6275

[10] A DIRECT, RESTRICTED-STEP, 2ND-ORDER MC SCF PROGRAM FOR LARGE-SCALE ABINITIO CALCULATIONS [J].

JENSEN, HJA ;

AGREN, H .

CHEMICAL PHYSICS, 1986, 104 (02) :229-250

← 1 2 3 →