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ABINITIO HARTREE-FOCK CALCULATIONS OF MOLECULAR X-RAY-INTENSITIES - VALIDITY OF ONE-CENTER APPROXIMATIONS
被引:61
作者
:
AGREN, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,INST PHYS,S-75121 UPPSALA,SWEDEN
UNIV UPPSALA,INST PHYS,S-75121 UPPSALA,SWEDEN
AGREN, H
[
1
]
NORDGREN, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,INST PHYS,S-75121 UPPSALA,SWEDEN
UNIV UPPSALA,INST PHYS,S-75121 UPPSALA,SWEDEN
NORDGREN, J
[
1
]
机构
:
[1]
UNIV UPPSALA,INST PHYS,S-75121 UPPSALA,SWEDEN
来源
:
THEORETICA CHIMICA ACTA
|
1981年
/ 58卷
/ 02期
关键词
:
D O I
:
10.1007/BF00550423
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
:
引用
收藏
页码:111 / 119
页数:9
相关论文
共 20 条
[1]
VALENCE ELECTRON-STRUCTURE OF THE SF6 AND CS2 MOLECULES, STUDIED IN HIGH-RESOLUTION X-RAY-EMISSION
AGREN, H
论文数:
0
引用数:
0
h-index:
0
AGREN, H
NORDGREN, J
论文数:
0
引用数:
0
h-index:
0
NORDGREN, J
SELANDER, L
论文数:
0
引用数:
0
h-index:
0
SELANDER, L
NORDLING, C
论文数:
0
引用数:
0
h-index:
0
NORDLING, C
SIEGBAHN, K
论文数:
0
引用数:
0
h-index:
0
SIEGBAHN, K
[J].
PHYSICA SCRIPTA,
1978,
18
(06):
: 499
-
505
[2]
X-RAY-SPECTRA AND CORE HOLE ENERGY CURVES OF SOME DIATOMIC-MOLECULES
AGREN, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
AGREN, H
SELANDER, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
SELANDER, L
NORDGREN, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
NORDGREN, J
NORDLING, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
NORDLING, C
SIEGBAHN, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
SIEGBAHN, K
MULLER, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
MULLER, J
[J].
CHEMICAL PHYSICS,
1979,
37
(02)
: 161
-
171
[3]
VIBRATIONAL EXCITATIONS IN SOFT-X-RAY EMISSION AND CORE ESCA SPECTRA OF NH3
AGREN, H
论文数:
0
引用数:
0
h-index:
0
AGREN, H
MULLER, J
论文数:
0
引用数:
0
h-index:
0
MULLER, J
NORDGREN, J
论文数:
0
引用数:
0
h-index:
0
NORDGREN, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(07)
: 4078
-
4083
[4]
ALMLOF J, MOL ALCHEMY PROGRAMM
[5]
APPROXIMATE HARTREE-FOCK WAVEFUNCTIONS ONE-ELECTRON PROPERTIES AND ELECTRONIC STRUCTURE OF WATER MOLECULE
AUNG, S
论文数:
0
引用数:
0
h-index:
0
AUNG, S
PITZER, RM
论文数:
0
引用数:
0
h-index:
0
PITZER, RM
CHAN, SI
论文数:
0
引用数:
0
h-index:
0
CHAN, SI
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(05)
: 2071
-
+
[6]
APPLICATION OF GREENS FUNCTIONS TO EXCITATIONS ACCOMPANYING PHOTOIONIZATION IN ATOMS AND MOLECULES
CEDERBAUM, LS
论文数:
0
引用数:
0
h-index:
0
机构:
TECH UNIV MUNICH, INST PHYS CHEM, MUNICH, WEST GERMANY
TECH UNIV MUNICH, INST PHYS CHEM, MUNICH, WEST GERMANY
CEDERBAUM, LS
[J].
MOLECULAR PHYSICS,
1974,
28
(02)
: 479
-
493
[7]
Gelius U., 1972, ELECTRON SPECTROSCOP, P311
[8]
APRIORI CALCULATION OF ATOMIC OSCILLATOR-STRENGTHS USING CORRELATED TRANSITION-STATES
GODEFROID, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES,FAC SCI,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
UNIV LIBRE BRUXELLES,FAC SCI,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
GODEFROID, M
BERGER, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES,FAC SCI,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
UNIV LIBRE BRUXELLES,FAC SCI,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
BERGER, JJ
VERHAEGEN, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES,FAC SCI,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
UNIV LIBRE BRUXELLES,FAC SCI,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
VERHAEGEN, G
[J].
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,
1976,
9
(13)
: 2181
-
2193
[9]
MOLECULAR-ORBITAL INTERPRETATION OF X-RAY-EMISSION SPECTRA .2. SULFUR AND CHLORINE KBETA SPECTRA OF SOME INORGANIC ANIONS
KARLSSON, G
论文数:
0
引用数:
0
h-index:
0
KARLSSON, G
MANNE, R
论文数:
0
引用数:
0
h-index:
0
MANNE, R
[J].
PHYSICA SCRIPTA,
1971,
4
(03)
: 119
-
+
[10]
MOLECULAR ORBITAL INTERPRETATION OF X-RAY EMISSION SPECTRA - SIMPLE HYDROCARBONS AND CARBON OXIDES
MANNE, R
论文数:
0
引用数:
0
h-index:
0
MANNE, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(11)
: 5733
-
&
←
1
2
→
共 20 条
[1]
VALENCE ELECTRON-STRUCTURE OF THE SF6 AND CS2 MOLECULES, STUDIED IN HIGH-RESOLUTION X-RAY-EMISSION
AGREN, H
论文数:
0
引用数:
0
h-index:
0
AGREN, H
NORDGREN, J
论文数:
0
引用数:
0
h-index:
0
NORDGREN, J
SELANDER, L
论文数:
0
引用数:
0
h-index:
0
SELANDER, L
NORDLING, C
论文数:
0
引用数:
0
h-index:
0
NORDLING, C
SIEGBAHN, K
论文数:
0
引用数:
0
h-index:
0
SIEGBAHN, K
[J].
PHYSICA SCRIPTA,
1978,
18
(06):
: 499
-
505
[2]
X-RAY-SPECTRA AND CORE HOLE ENERGY CURVES OF SOME DIATOMIC-MOLECULES
AGREN, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
AGREN, H
SELANDER, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
SELANDER, L
NORDGREN, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
NORDGREN, J
NORDLING, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
NORDLING, C
SIEGBAHN, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
SIEGBAHN, K
MULLER, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
UNIV UPPSALA,DEPT QUANTUM CHEM,S-75120 UPPSALA,SWEDEN
MULLER, J
[J].
CHEMICAL PHYSICS,
1979,
37
(02)
: 161
-
171
[3]
VIBRATIONAL EXCITATIONS IN SOFT-X-RAY EMISSION AND CORE ESCA SPECTRA OF NH3
AGREN, H
论文数:
0
引用数:
0
h-index:
0
AGREN, H
MULLER, J
论文数:
0
引用数:
0
h-index:
0
MULLER, J
NORDGREN, J
论文数:
0
引用数:
0
h-index:
0
NORDGREN, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(07)
: 4078
-
4083
[4]
ALMLOF J, MOL ALCHEMY PROGRAMM
[5]
APPROXIMATE HARTREE-FOCK WAVEFUNCTIONS ONE-ELECTRON PROPERTIES AND ELECTRONIC STRUCTURE OF WATER MOLECULE
AUNG, S
论文数:
0
引用数:
0
h-index:
0
AUNG, S
PITZER, RM
论文数:
0
引用数:
0
h-index:
0
PITZER, RM
CHAN, SI
论文数:
0
引用数:
0
h-index:
0
CHAN, SI
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(05)
: 2071
-
+
[6]
APPLICATION OF GREENS FUNCTIONS TO EXCITATIONS ACCOMPANYING PHOTOIONIZATION IN ATOMS AND MOLECULES
CEDERBAUM, LS
论文数:
0
引用数:
0
h-index:
0
机构:
TECH UNIV MUNICH, INST PHYS CHEM, MUNICH, WEST GERMANY
TECH UNIV MUNICH, INST PHYS CHEM, MUNICH, WEST GERMANY
CEDERBAUM, LS
[J].
MOLECULAR PHYSICS,
1974,
28
(02)
: 479
-
493
[7]
Gelius U., 1972, ELECTRON SPECTROSCOP, P311
[8]
APRIORI CALCULATION OF ATOMIC OSCILLATOR-STRENGTHS USING CORRELATED TRANSITION-STATES
GODEFROID, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES,FAC SCI,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
UNIV LIBRE BRUXELLES,FAC SCI,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
GODEFROID, M
BERGER, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES,FAC SCI,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
UNIV LIBRE BRUXELLES,FAC SCI,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
BERGER, JJ
VERHAEGEN, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES,FAC SCI,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
UNIV LIBRE BRUXELLES,FAC SCI,CHIM PHYS MOLEC LAB,B-1050 BRUSSELS,BELGIUM
VERHAEGEN, G
[J].
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,
1976,
9
(13)
: 2181
-
2193
[9]
MOLECULAR-ORBITAL INTERPRETATION OF X-RAY-EMISSION SPECTRA .2. SULFUR AND CHLORINE KBETA SPECTRA OF SOME INORGANIC ANIONS
KARLSSON, G
论文数:
0
引用数:
0
h-index:
0
KARLSSON, G
MANNE, R
论文数:
0
引用数:
0
h-index:
0
MANNE, R
[J].
PHYSICA SCRIPTA,
1971,
4
(03)
: 119
-
+
[10]
MOLECULAR ORBITAL INTERPRETATION OF X-RAY EMISSION SPECTRA - SIMPLE HYDROCARBONS AND CARBON OXIDES
MANNE, R
论文数:
0
引用数:
0
h-index:
0
MANNE, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(11)
: 5733
-
&
←
1
2
→