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ELECTRONIC-STRUCTURE FOR THE GROUND-STATE OF T1H FROM RELATIVISTIC MULTICONFIGURATION SCF CALCULATIONS
被引:44
作者
:
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
CHRISTIANSEN, PA
[
1
]
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
PITZER, KS
[
1
]
机构
:
[1]
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1980年
/ 73卷
/ 10期
关键词
:
D O I
:
10.1063/1.439995
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:5160 / 5163
页数:4
相关论文
共 18 条
[1]
IMPROVED ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
CHRISTIANSEN, PA
LEE, YS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
LEE, YS
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
PITZER, KS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(11)
: 4445
-
4450
[2]
A STUDY OF THE ACCURACY OF THE PSEUDOPOTENTIAL FORMALISM
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
[J].
CHEMICAL PHYSICS LETTERS,
1980,
71
(02)
: 202
-
206
[3]
PSEUDOPOTENTIAL STUDY OF SOME PROMINENT BAND SYSTEMS OF SPECTRA OF I-2 MOLECULE
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(01)
: 53
-
62
[4]
DAS G, 1972, ANL7955 REP
[5]
APPLICATION OF EFFECTIVE POTENTIALS TO RELATIVISTIC HARTREE-FOCK CALCULATIONS
DATTA, SN
论文数:
0
引用数:
0
h-index:
0
DATTA, SN
EWIG, CS
论文数:
0
引用数:
0
h-index:
0
EWIG, CS
VANWAZER, JR
论文数:
0
引用数:
0
h-index:
0
VANWAZER, JR
[J].
CHEMICAL PHYSICS LETTERS,
1978,
57
(01)
: 83
-
89
[6]
MULTICONFIGURATION RELATIVISTIC DIRAC-FOCK PROGRAM
DESCLAUX, JP
论文数:
0
引用数:
0
h-index:
0
机构:
CTR ETUD LIMEIL,BP 27,94190 VILLENEUVE ST GEORG,FRANCE
CTR ETUD LIMEIL,BP 27,94190 VILLENEUVE ST GEORG,FRANCE
DESCLAUX, JP
[J].
COMPUTER PHYSICS COMMUNICATIONS,
1975,
9
(01)
: 31
-
45
[7]
ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .2. POTENTIAL-ENERGY CURVES FOR XE-2, XE+2, AND XE-STAR-2
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,THEORET ATOM & MOLEC PHYS GRP,LIVERMORE,CA 94550
ERMLER, WC
LEE, YS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,THEORET ATOM & MOLEC PHYS GRP,LIVERMORE,CA 94550
LEE, YS
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,THEORET ATOM & MOLEC PHYS GRP,LIVERMORE,CA 94550
PITZER, KS
WINTER, NW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,THEORET ATOM & MOLEC PHYS GRP,LIVERMORE,CA 94550
WINTER, NW
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(03)
: 976
-
983
[8]
ON CALCULATION OF POTENTIAL CURVES BY RYDBERG-KLEIN-REES METHOD .I. EXPERIMENTAL LIMITATIONS EXTRAPOLATION PROCEDURES AND APPLICATIONS TO THIRD-GROUP HYDRIDES
GINTER, ML
论文数:
0
引用数:
0
h-index:
0
GINTER, ML
BATTINO, R
论文数:
0
引用数:
0
h-index:
0
BATTINO, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(09)
: 3222
-
&
[9]
MOLECULAR SPINORS FROM THE QUASI-RELATIVISTIC PSEUDOPOTENTIAL APPROACH
HAFNER, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,D-5300 BONN 1,FED REP GER
HAFNER, P
SCHWARZ, WHE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,D-5300 BONN 1,FED REP GER
SCHWARZ, WHE
[J].
CHEMICAL PHYSICS LETTERS,
1979,
65
(03)
: 537
-
541
[10]
ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS .2. ALL-ELECTRON COMPARISONS AND MODIFICATIONS OF PROCEDURE
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
HAY, PJ
WADT, WR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
WADT, WR
KAHN, LR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
KAHN, LR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(07)
: 3059
-
3066
←
1
2
→
共 18 条
[1]
IMPROVED ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
CHRISTIANSEN, PA
LEE, YS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
LEE, YS
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720
PITZER, KS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(11)
: 4445
-
4450
[2]
A STUDY OF THE ACCURACY OF THE PSEUDOPOTENTIAL FORMALISM
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
[J].
CHEMICAL PHYSICS LETTERS,
1980,
71
(02)
: 202
-
206
[3]
PSEUDOPOTENTIAL STUDY OF SOME PROMINENT BAND SYSTEMS OF SPECTRA OF I-2 MOLECULE
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(01)
: 53
-
62
[4]
DAS G, 1972, ANL7955 REP
[5]
APPLICATION OF EFFECTIVE POTENTIALS TO RELATIVISTIC HARTREE-FOCK CALCULATIONS
DATTA, SN
论文数:
0
引用数:
0
h-index:
0
DATTA, SN
EWIG, CS
论文数:
0
引用数:
0
h-index:
0
EWIG, CS
VANWAZER, JR
论文数:
0
引用数:
0
h-index:
0
VANWAZER, JR
[J].
CHEMICAL PHYSICS LETTERS,
1978,
57
(01)
: 83
-
89
[6]
MULTICONFIGURATION RELATIVISTIC DIRAC-FOCK PROGRAM
DESCLAUX, JP
论文数:
0
引用数:
0
h-index:
0
机构:
CTR ETUD LIMEIL,BP 27,94190 VILLENEUVE ST GEORG,FRANCE
CTR ETUD LIMEIL,BP 27,94190 VILLENEUVE ST GEORG,FRANCE
DESCLAUX, JP
[J].
COMPUTER PHYSICS COMMUNICATIONS,
1975,
9
(01)
: 31
-
45
[7]
ABINITIO EFFECTIVE CORE POTENTIALS INCLUDING RELATIVISTIC EFFECTS .2. POTENTIAL-ENERGY CURVES FOR XE-2, XE+2, AND XE-STAR-2
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,THEORET ATOM & MOLEC PHYS GRP,LIVERMORE,CA 94550
ERMLER, WC
LEE, YS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,THEORET ATOM & MOLEC PHYS GRP,LIVERMORE,CA 94550
LEE, YS
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,THEORET ATOM & MOLEC PHYS GRP,LIVERMORE,CA 94550
PITZER, KS
WINTER, NW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,THEORET ATOM & MOLEC PHYS GRP,LIVERMORE,CA 94550
WINTER, NW
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(03)
: 976
-
983
[8]
ON CALCULATION OF POTENTIAL CURVES BY RYDBERG-KLEIN-REES METHOD .I. EXPERIMENTAL LIMITATIONS EXTRAPOLATION PROCEDURES AND APPLICATIONS TO THIRD-GROUP HYDRIDES
GINTER, ML
论文数:
0
引用数:
0
h-index:
0
GINTER, ML
BATTINO, R
论文数:
0
引用数:
0
h-index:
0
BATTINO, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
42
(09)
: 3222
-
&
[9]
MOLECULAR SPINORS FROM THE QUASI-RELATIVISTIC PSEUDOPOTENTIAL APPROACH
HAFNER, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,D-5300 BONN 1,FED REP GER
HAFNER, P
SCHWARZ, WHE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,D-5300 BONN 1,FED REP GER
SCHWARZ, WHE
[J].
CHEMICAL PHYSICS LETTERS,
1979,
65
(03)
: 537
-
541
[10]
ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS .2. ALL-ELECTRON COMPARISONS AND MODIFICATIONS OF PROCEDURE
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
HAY, PJ
WADT, WR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
WADT, WR
KAHN, LR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
BATTELLE MEM INST,COLUMBUS LABS,MET SCI SECT,COLUMBUS,OH 43201
KAHN, LR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(07)
: 3059
-
3066
←
1
2
→