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VARIATIONAL METHOD FOR DETERMINING THE FUKUI FUNCTION AND CHEMICAL HARDNESS OF AN ELECTRONIC SYSTEM
被引:123
作者
:
CHATTARAJ, PK
论文数:
0
引用数:
0
h-index:
0
CHATTARAJ, PK
CEDILLO, A
论文数:
0
引用数:
0
h-index:
0
CEDILLO, A
PARR, RG
论文数:
0
引用数:
0
h-index:
0
PARR, RG
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1995年
/ 103卷
/ 17期
关键词
:
D O I
:
10.1063/1.470284
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:7645 / 7646
页数:2
相关论文
共 14 条
[1]
MOLECULAR HARDNESS AND SOFTNESS, LOCAL HARDNESS AND SOFTNESS, HARDNESS AND SOFTNESS KERNELS, AND RELATIONS AMONG THESE QUANTITIES
BERKOWITZ, M
论文数:
0
引用数:
0
h-index:
0
BERKOWITZ, M
PARR, RG
论文数:
0
引用数:
0
h-index:
0
PARR, RG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(04)
: 2554
-
2557
[2]
CEDILLO A, 1994, INT J QUANTUM CHEM, P231
[3]
THE MAXIMUM HARDNESS PRINCIPLE IN THE GYFTOPOULOS-HATSOPOULOS 3-LEVEL MODEL FOR AN ATOMIC OR MOLECULAR-SPECIES AND ITS POSITIVE AND NEGATIVE-IONS
CHATTARAJ, PK
论文数:
0
引用数:
0
h-index:
0
机构:
INDIAN INST TECHNOL, DEPT CHEM, KHARAGPUR 721302, W BENGAL, INDIA
INDIAN INST TECHNOL, DEPT CHEM, KHARAGPUR 721302, W BENGAL, INDIA
CHATTARAJ, PK
LIU, GH
论文数:
0
引用数:
0
h-index:
0
机构:
INDIAN INST TECHNOL, DEPT CHEM, KHARAGPUR 721302, W BENGAL, INDIA
INDIAN INST TECHNOL, DEPT CHEM, KHARAGPUR 721302, W BENGAL, INDIA
LIU, GH
PARR, RG
论文数:
0
引用数:
0
h-index:
0
机构:
INDIAN INST TECHNOL, DEPT CHEM, KHARAGPUR 721302, W BENGAL, INDIA
INDIAN INST TECHNOL, DEPT CHEM, KHARAGPUR 721302, W BENGAL, INDIA
PARR, RG
[J].
CHEMICAL PHYSICS LETTERS,
1995,
237
(1-2)
: 171
-
176
[4]
HARDNESS AND SOFTNESS IN THE ABINITIO STUDY OF POLYATOMIC SYSTEMS
GALVAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AUTONOMA METROPOLITANA IZTAPALAPA, DEPT QUIM, MEXICO CITY 09340, DF, MEXICO
GALVAN, M
DALPINO, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AUTONOMA METROPOLITANA IZTAPALAPA, DEPT QUIM, MEXICO CITY 09340, DF, MEXICO
DALPINO, A
JOANNOPOULOS, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AUTONOMA METROPOLITANA IZTAPALAPA, DEPT QUIM, MEXICO CITY 09340, DF, MEXICO
JOANNOPOULOS, JD
[J].
PHYSICAL REVIEW LETTERS,
1993,
70
(01)
: 21
-
24
[5]
ENERGY DERIVATIVES IN DENSITY-FUNCTIONAL THEORY
GHOSH, SK
论文数:
0
引用数:
0
h-index:
0
机构:
Heavy Water Division, Bhabha Atomic Research Centre, Bombay
GHOSH, SK
[J].
CHEMICAL PHYSICS LETTERS,
1990,
172
(01)
: 77
-
82
[6]
ASPECTS OF THE SOFTNESS AND HARDNESS CONCEPTS OF DENSITY-FUNCTIONAL THEORY
HARBOLA, MK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27599 USA
UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27599 USA
HARBOLA, MK
CHATTARAJ, PK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27599 USA
UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27599 USA
CHATTARAJ, PK
PARR, RG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27599 USA
UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27599 USA
PARR, RG
[J].
ISRAEL JOURNAL OF CHEMISTRY,
1991,
31
(04)
: 395
-
402
[7]
INHOMOGENEOUS ELECTRON-GAS
RAJAGOPAL, AK
论文数:
0
引用数:
0
h-index:
0
机构:
LOUISIANA STATE UNIV, DEPT PHYS & ASTRONOMY, BATON ROUGE, LA 70803 USA
LOUISIANA STATE UNIV, DEPT PHYS & ASTRONOMY, BATON ROUGE, LA 70803 USA
RAJAGOPAL, AK
CALLAWAY, J
论文数:
0
引用数:
0
h-index:
0
机构:
LOUISIANA STATE UNIV, DEPT PHYS & ASTRONOMY, BATON ROUGE, LA 70803 USA
LOUISIANA STATE UNIV, DEPT PHYS & ASTRONOMY, BATON ROUGE, LA 70803 USA
CALLAWAY, J
[J].
PHYSICAL REVIEW B,
1973,
7
(05)
: 1912
-
1919
[8]
MIKHLIN SG, 1965, PROBLEM MINIMIZATION, P3
[9]
ORTEGA JM, 1987, MATRIX THEORY, P154
[10]
Parr R. G., 1989, INT SERIES MONOGRAPH, V1, P989
←
1
2
→
共 14 条
[1]
MOLECULAR HARDNESS AND SOFTNESS, LOCAL HARDNESS AND SOFTNESS, HARDNESS AND SOFTNESS KERNELS, AND RELATIONS AMONG THESE QUANTITIES
BERKOWITZ, M
论文数:
0
引用数:
0
h-index:
0
BERKOWITZ, M
PARR, RG
论文数:
0
引用数:
0
h-index:
0
PARR, RG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(04)
: 2554
-
2557
[2]
CEDILLO A, 1994, INT J QUANTUM CHEM, P231
[3]
THE MAXIMUM HARDNESS PRINCIPLE IN THE GYFTOPOULOS-HATSOPOULOS 3-LEVEL MODEL FOR AN ATOMIC OR MOLECULAR-SPECIES AND ITS POSITIVE AND NEGATIVE-IONS
CHATTARAJ, PK
论文数:
0
引用数:
0
h-index:
0
机构:
INDIAN INST TECHNOL, DEPT CHEM, KHARAGPUR 721302, W BENGAL, INDIA
INDIAN INST TECHNOL, DEPT CHEM, KHARAGPUR 721302, W BENGAL, INDIA
CHATTARAJ, PK
LIU, GH
论文数:
0
引用数:
0
h-index:
0
机构:
INDIAN INST TECHNOL, DEPT CHEM, KHARAGPUR 721302, W BENGAL, INDIA
INDIAN INST TECHNOL, DEPT CHEM, KHARAGPUR 721302, W BENGAL, INDIA
LIU, GH
PARR, RG
论文数:
0
引用数:
0
h-index:
0
机构:
INDIAN INST TECHNOL, DEPT CHEM, KHARAGPUR 721302, W BENGAL, INDIA
INDIAN INST TECHNOL, DEPT CHEM, KHARAGPUR 721302, W BENGAL, INDIA
PARR, RG
[J].
CHEMICAL PHYSICS LETTERS,
1995,
237
(1-2)
: 171
-
176
[4]
HARDNESS AND SOFTNESS IN THE ABINITIO STUDY OF POLYATOMIC SYSTEMS
GALVAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AUTONOMA METROPOLITANA IZTAPALAPA, DEPT QUIM, MEXICO CITY 09340, DF, MEXICO
GALVAN, M
DALPINO, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AUTONOMA METROPOLITANA IZTAPALAPA, DEPT QUIM, MEXICO CITY 09340, DF, MEXICO
DALPINO, A
JOANNOPOULOS, JD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AUTONOMA METROPOLITANA IZTAPALAPA, DEPT QUIM, MEXICO CITY 09340, DF, MEXICO
JOANNOPOULOS, JD
[J].
PHYSICAL REVIEW LETTERS,
1993,
70
(01)
: 21
-
24
[5]
ENERGY DERIVATIVES IN DENSITY-FUNCTIONAL THEORY
GHOSH, SK
论文数:
0
引用数:
0
h-index:
0
机构:
Heavy Water Division, Bhabha Atomic Research Centre, Bombay
GHOSH, SK
[J].
CHEMICAL PHYSICS LETTERS,
1990,
172
(01)
: 77
-
82
[6]
ASPECTS OF THE SOFTNESS AND HARDNESS CONCEPTS OF DENSITY-FUNCTIONAL THEORY
HARBOLA, MK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27599 USA
UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27599 USA
HARBOLA, MK
CHATTARAJ, PK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27599 USA
UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27599 USA
CHATTARAJ, PK
PARR, RG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27599 USA
UNIV N CAROLINA, DEPT CHEM, CHAPEL HILL, NC 27599 USA
PARR, RG
[J].
ISRAEL JOURNAL OF CHEMISTRY,
1991,
31
(04)
: 395
-
402
[7]
INHOMOGENEOUS ELECTRON-GAS
RAJAGOPAL, AK
论文数:
0
引用数:
0
h-index:
0
机构:
LOUISIANA STATE UNIV, DEPT PHYS & ASTRONOMY, BATON ROUGE, LA 70803 USA
LOUISIANA STATE UNIV, DEPT PHYS & ASTRONOMY, BATON ROUGE, LA 70803 USA
RAJAGOPAL, AK
CALLAWAY, J
论文数:
0
引用数:
0
h-index:
0
机构:
LOUISIANA STATE UNIV, DEPT PHYS & ASTRONOMY, BATON ROUGE, LA 70803 USA
LOUISIANA STATE UNIV, DEPT PHYS & ASTRONOMY, BATON ROUGE, LA 70803 USA
CALLAWAY, J
[J].
PHYSICAL REVIEW B,
1973,
7
(05)
: 1912
-
1919
[8]
MIKHLIN SG, 1965, PROBLEM MINIMIZATION, P3
[9]
ORTEGA JM, 1987, MATRIX THEORY, P154
[10]
Parr R. G., 1989, INT SERIES MONOGRAPH, V1, P989
←
1
2
→