Dimensionality dependence of the self-interaction correction in the local-density approximation to density functional theory
被引:3
作者:
Nagy, I.
论文数: 0引用数: 0
h-index: 0
机构:
Tech Univ Budapest, Inst Phys, Dept Theoret Phys, H-1521 Budapest, Hungary
DIPC, San Sebastian 20018, SpainTech Univ Budapest, Inst Phys, Dept Theoret Phys, H-1521 Budapest, Hungary
Nagy, I.
[1
,2
]
Echenique, P. M.
论文数: 0引用数: 0
h-index: 0
机构:
DIPC, San Sebastian 20018, Spain
Univ Basque Country, Fac Ciencias Quim, CSIC, Dept Fis Mat,EHU, Sebastian 20080, Spain
Univ Basque Country, Fac Ciencias Quim, CSIC, Ctr Mixto,EHU, Sebastian 20080, SpainTech Univ Budapest, Inst Phys, Dept Theoret Phys, H-1521 Budapest, Hungary
Echenique, P. M.
[2
,3
,4
]
机构:
[1] Tech Univ Budapest, Inst Phys, Dept Theoret Phys, H-1521 Budapest, Hungary
[2] DIPC, San Sebastian 20018, Spain
[3] Univ Basque Country, Fac Ciencias Quim, CSIC, Dept Fis Mat,EHU, Sebastian 20080, Spain
[4] Univ Basque Country, Fac Ciencias Quim, CSIC, Ctr Mixto,EHU, Sebastian 20080, Spain
来源:
PHYSICAL REVIEW B
|
2010年
/
81卷
/
11期
关键词:
ELECTRONS;
METALS;
ENERGY;
ATOM;
D O I:
10.1103/PhysRevB.81.113109
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
The local-density approximation (LDA) to density functional theory is not self-interaction free. Motivated by this intellectual challenge, and the possible practical importance of strong electron-correlation in a Wigner-type model, the capability of LDA is investigated for a two-dimensional electron system in the low-density limit. It is found for this essentially single-electron limit that the performance of LDA is slightly better in two dimension than in the equivalent three-dimensional problem treated earlier in Phys. Rev. B 18, 6506 (1978). An a priori explanation of this fact is given in terms of the different characters of potential fields generated by normalized charge distributions in these dimensions.
机构:
Qufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R ChinaQufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R China
Qin, Mei
Zhao, Gang
论文数: 0引用数: 0
h-index: 0
机构:
Huang Hai Career Coll, Dept Elect, Mech Serv, Shandong 266000, Huangdao, Peoples R ChinaQufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R China
Zhao, Gang
Du, Dong-mei
论文数: 0引用数: 0
h-index: 0
机构:
Qufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R ChinaQufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R China
Du, Dong-mei
Ma, Ke-sheng
论文数: 0引用数: 0
h-index: 0
机构:
Second Secondary Sch Kashi City Xinjiang Uygur Au, Xinjiang 844000, Kashi, Peoples R ChinaQufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R China
Ma, Ke-sheng
Zhou, Zheng-yu
论文数: 0引用数: 0
h-index: 0
机构:
Qufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R ChinaQufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R China
Zhou, Zheng-yu
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY,
2010,
49
(10):
: 1332
-
1338
机构:
Hunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
Vrije Univ Brussel, Res Grp Gen Chem ALGC, Pl Laan 2, B-1050 Brussels, BelgiumHunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
Yu, Donghai
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h-index:
机构:
Stuyver, Thijs
Rong, Chunying
论文数: 0引用数: 0
h-index: 0
机构:
Hunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R ChinaHunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
Rong, Chunying
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h-index:
机构:
Alonso, Mercedes
Lu, Tian
论文数: 0引用数: 0
h-index: 0
机构:
Beijing Kein Res Ctr Nat Sci, Beijing 100022, Peoples R ChinaHunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
Lu, Tian
De Proft, Frank
论文数: 0引用数: 0
h-index: 0
机构:
Vrije Univ Brussel, Res Grp Gen Chem ALGC, Pl Laan 2, B-1050 Brussels, BelgiumHunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
De Proft, Frank
Geerlings, Paul
论文数: 0引用数: 0
h-index: 0
机构:
Vrije Univ Brussel, Res Grp Gen Chem ALGC, Pl Laan 2, B-1050 Brussels, BelgiumHunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
Geerlings, Paul
Liu, Shubin
论文数: 0引用数: 0
h-index: 0
机构:
Univ N Carolina, Ctr Res Comp, Chapel Hill, NC 27599 USAHunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
机构:
Q Chem Inc, Pittsburgh, PA 15213 USAQ Chem Inc, Pittsburgh, PA 15213 USA
Proynov, Emil
Liu, Fenglai
论文数: 0引用数: 0
h-index: 0
机构:
Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China
SUNY Buffalo, Ctr Computat Res, Buffalo, NY 14260 USAQ Chem Inc, Pittsburgh, PA 15213 USA
Liu, Fenglai
Kong, Jing
论文数: 0引用数: 0
h-index: 0
机构:
Q Chem Inc, Pittsburgh, PA 15213 USAQ Chem Inc, Pittsburgh, PA 15213 USA
机构:
Qufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R ChinaQufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R China
Qin, Mei
Zhao, Gang
论文数: 0引用数: 0
h-index: 0
机构:
Huang Hai Career Coll, Dept Elect, Mech Serv, Shandong 266000, Huangdao, Peoples R ChinaQufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R China
Zhao, Gang
Du, Dong-mei
论文数: 0引用数: 0
h-index: 0
机构:
Qufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R ChinaQufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R China
Du, Dong-mei
Ma, Ke-sheng
论文数: 0引用数: 0
h-index: 0
机构:
Second Secondary Sch Kashi City Xinjiang Uygur Au, Xinjiang 844000, Kashi, Peoples R ChinaQufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R China
Ma, Ke-sheng
Zhou, Zheng-yu
论文数: 0引用数: 0
h-index: 0
机构:
Qufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R ChinaQufu Normal Univ, Dept Chem, Shandong 273165, Qufu, Peoples R China
Zhou, Zheng-yu
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY,
2010,
49
(10):
: 1332
-
1338
机构:
Hunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
Vrije Univ Brussel, Res Grp Gen Chem ALGC, Pl Laan 2, B-1050 Brussels, BelgiumHunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
Yu, Donghai
论文数: 引用数:
h-index:
机构:
Stuyver, Thijs
Rong, Chunying
论文数: 0引用数: 0
h-index: 0
机构:
Hunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R ChinaHunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
Rong, Chunying
论文数: 引用数:
h-index:
机构:
Alonso, Mercedes
Lu, Tian
论文数: 0引用数: 0
h-index: 0
机构:
Beijing Kein Res Ctr Nat Sci, Beijing 100022, Peoples R ChinaHunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
Lu, Tian
De Proft, Frank
论文数: 0引用数: 0
h-index: 0
机构:
Vrije Univ Brussel, Res Grp Gen Chem ALGC, Pl Laan 2, B-1050 Brussels, BelgiumHunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
De Proft, Frank
Geerlings, Paul
论文数: 0引用数: 0
h-index: 0
机构:
Vrije Univ Brussel, Res Grp Gen Chem ALGC, Pl Laan 2, B-1050 Brussels, BelgiumHunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
Geerlings, Paul
Liu, Shubin
论文数: 0引用数: 0
h-index: 0
机构:
Univ N Carolina, Ctr Res Comp, Chapel Hill, NC 27599 USAHunan Normal Univ, Key Lab Chem Biol & Tradit Chinese Med Res, Minist Educ China, Coll Chem & Chem Engn, Changsha 410081, Hunan, Peoples R China
机构:
Q Chem Inc, Pittsburgh, PA 15213 USAQ Chem Inc, Pittsburgh, PA 15213 USA
Proynov, Emil
Liu, Fenglai
论文数: 0引用数: 0
h-index: 0
机构:
Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China
SUNY Buffalo, Ctr Computat Res, Buffalo, NY 14260 USAQ Chem Inc, Pittsburgh, PA 15213 USA
Liu, Fenglai
Kong, Jing
论文数: 0引用数: 0
h-index: 0
机构:
Q Chem Inc, Pittsburgh, PA 15213 USAQ Chem Inc, Pittsburgh, PA 15213 USA