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THEORETICAL DETERMINATION OF CHARGE-TRANSFER AND LIGAND-FIELD TRANSITION ENERGIES FOR FECL4- USING THE EOM-CCSD METHOD
被引:14
作者
:
OLIPHANT, N
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
OLIPHANT, N
[
1
]
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
BARTLETT, RJ
[
1
]
机构
:
[1]
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1994年
/ 116卷
/ 09期
关键词
:
D O I
:
10.1021/ja00088a060
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
[No abstract available]
引用
收藏
页码:4091 / 4092
页数:2
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EXCITATION-ENERGIES IN THE NICKEL ATOM STUDIED WITH THE COMPLETE ACTIVE SPACE SCF METHOD AND 2ND-ORDER PERTURBATION-THEORY
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VARIABLE-ENERGY PHOTOELECTRON SPECTROSCOPIC COMPARISON OF THE BONDING IN FERRIC SULFIDE AND FERRIC-CHLORIDE - AN ALTERNATIVE DESCRIPTION OF THE NEAR-IR VISIBLE SPIN-FORBIDDEN TRANSITIONS IN HIGH-SPIN D5 COMPLEXES
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EMRICH, K
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0
引用数:
0
h-index:
0
EMRICH, K
[J].
NUCLEAR PHYSICS A,
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[10]
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FULSCHER, MP
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ROOS, BO
[J].
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(23)
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9212
←
1
2
3
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共 30 条
[1]
EXCITATION-ENERGIES IN THE NICKEL ATOM STUDIED WITH THE COMPLETE ACTIVE SPACE SCF METHOD AND 2ND-ORDER PERTURBATION-THEORY
ANDERSSON, K
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Theoretical Chemistry, Chemical Centre, S-221 00 Lund
ANDERSSON, K
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Theoretical Chemistry, Chemical Centre, S-221 00 Lund
ROOS, BO
[J].
CHEMICAL PHYSICS LETTERS,
1992,
191
(06)
: 507
-
514
[2]
BARTLETT RJ, 1994, REV COMP CH, V5, P65, DOI 10.1002/9780470125823.ch2
[3]
VARIABLE-ENERGY PHOTOELECTRON SPECTROSCOPIC COMPARISON OF THE BONDING IN FERRIC SULFIDE AND FERRIC-CHLORIDE - AN ALTERNATIVE DESCRIPTION OF THE NEAR-IR VISIBLE SPIN-FORBIDDEN TRANSITIONS IN HIGH-SPIN D5 COMPLEXES
BUTCHER, KD
论文数:
0
引用数:
0
h-index:
0
机构:
STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
BUTCHER, KD
GEBHARD, MS
论文数:
0
引用数:
0
h-index:
0
机构:
STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
GEBHARD, MS
SOLOMON, EI
论文数:
0
引用数:
0
h-index:
0
机构:
STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
SOLOMON, EI
[J].
INORGANIC CHEMISTRY,
1990,
29
(11)
: 2067
-
2074
[4]
THE EQUATION-OF-MOTION COUPLED-CLUSTER METHOD - APPLICATIONS TO OPEN-SHELL AND CLOSED-SHELL REFERENCE STATES
COMEAU, DC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT PHYS,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT PHYS,GAINESVILLE,FL 32611
COMEAU, DC
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,DEPT PHYS,GAINESVILLE,FL 32611
UNIV FLORIDA,DEPT PHYS,GAINESVILLE,FL 32611
BARTLETT, RJ
[J].
CHEMICAL PHYSICS LETTERS,
1993,
207
(4-6)
: 414
-
423
[5]
SOME ASPECTS OF THE TIME-DEPENDENT COUPLED-CLUSTER APPROACH TO DYNAMIC-RESPONSE FUNCTIONS
DALGAARD, E
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
DALGAARD, E
MONKHORST, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
UNIV FLORIDA,QUANTUM THEORY PROJECT,GAINESVILLE,FL 32611
MONKHORST, HJ
[J].
PHYSICAL REVIEW A,
1983,
28
(03):
: 1217
-
1222
[6]
TRANSVERSE AND LONGITUDINAL ZEEMAN EFFECT ON [PPH4][FECL4] - ASSIGNMENT OF THE LIGAND-FIELD TRANSITIONS AND THE ORIGIN OF THE A-6(1) GROUND-STATE ZERO-FIELD SPLITTING
DEATON, JC
论文数:
0
引用数:
0
h-index:
0
机构:
STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
DEATON, JC
GEBHARD, MS
论文数:
0
引用数:
0
h-index:
0
机构:
STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
GEBHARD, MS
SOLOMON, EI
论文数:
0
引用数:
0
h-index:
0
机构:
STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
STANFORD UNIV,DEPT CHEM,STANFORD,CA 94305
SOLOMON, EI
[J].
INORGANIC CHEMISTRY,
1989,
28
(05)
: 877
-
889
[7]
ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 1ST-ROW TRANSITION-ELEMENTS
DOLG, M
论文数:
0
引用数:
0
h-index:
0
DOLG, M
WEDIG, U
论文数:
0
引用数:
0
h-index:
0
WEDIG, U
STOLL, H
论文数:
0
引用数:
0
h-index:
0
STOLL, H
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
PREUSS, H
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(02)
: 866
-
872
[8]
NEGATIVE-PARITY STATES IN O-16 FROM COUPLED-CLUSTER EQUATIONS
EMRICH, K
论文数:
0
引用数:
0
h-index:
0
EMRICH, K
ZABOLITZKY, JG
论文数:
0
引用数:
0
h-index:
0
ZABOLITZKY, JG
[J].
NUCLEAR PHYSICS A,
1981,
351
(03)
: 439
-
455
[9]
AN EXTENSION OF THE COUPLED CLUSTER FORMALISM TO EXCITED-STATES .2. APPROXIMATIONS AND TESTS
EMRICH, K
论文数:
0
引用数:
0
h-index:
0
EMRICH, K
[J].
NUCLEAR PHYSICS A,
1981,
351
(03)
: 397
-
438
[10]
TOWARD AN ACCURATE MOLECULAR-ORBITAL THEORY FOR EXCITED-STATES - THE AZABENZENES
FULSCHER, MP
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR LUND,DEPT THEORET CHEM,POB 124,S-22100 LUND,SWEDEN
CHEM CTR LUND,DEPT THEORET CHEM,POB 124,S-22100 LUND,SWEDEN
FULSCHER, MP
ANDERSSON, K
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR LUND,DEPT THEORET CHEM,POB 124,S-22100 LUND,SWEDEN
CHEM CTR LUND,DEPT THEORET CHEM,POB 124,S-22100 LUND,SWEDEN
ANDERSSON, K
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR LUND,DEPT THEORET CHEM,POB 124,S-22100 LUND,SWEDEN
CHEM CTR LUND,DEPT THEORET CHEM,POB 124,S-22100 LUND,SWEDEN
ROOS, BO
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1992,
96
(23)
: 9204
-
9212
←
1
2
3
→