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A variation principle for discontinuous wavefunctions
被引:21
作者
:
Hall, G. G.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Nottingham, Dept Math, Nottingham NG7 2RD, England
Univ Nottingham, Dept Math, Nottingham NG7 2RD, England
Hall, G. G.
[
1
]
机构
:
[1]
Univ Nottingham, Dept Math, Nottingham NG7 2RD, England
来源
:
CHEMICAL PHYSICS LETTERS
|
1967年
/ 1卷
/ 10期
关键词
:
D O I
:
10.1016/0009-2614(67)85087-5
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
:
A variation principle which allows discontinuous functions to be used as trial wavefunctions is proposed. A simple example indicates that the results can be surprisingly accurate.
引用
收藏
页码:495 / 496
页数:2
相关论文
共 3 条
[1]
APPLICABILITY OF APPROXIMATE QUANTUM-MECHANICAL WAVE FUNCTIONS HAVING DISCONTINUITIES IN THEIR FIRST DERIVATIVES
HIRSCHFELD, J
论文数:
0
引用数:
0
h-index:
0
HIRSCHFELD, J
NAZAROFF, GV
论文数:
0
引用数:
0
h-index:
0
NAZAROFF, GV
[J].
JOURNAL OF CHEMICAL PHYSICS,
1961,
34
(05)
: 1666
-
&
[2]
JOSEPH A, 1967, INT J QUANTUM CHEM, V1, P567
[3]
A stationary principle for discontinuous trial functions and a framework for zero-differential-overlap theories of electronic structure
Weare, J. H.
论文数:
0
引用数:
0
h-index:
0
机构:
Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA
Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA
Weare, J. H.
Parr, R. G.
论文数:
0
引用数:
0
h-index:
0
机构:
Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA
Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA
Parr, R. G.
[J].
CHEMICAL PHYSICS LETTERS,
1967,
1
(09)
: 349
-
350
←
1
→
共 3 条
[1]
APPLICABILITY OF APPROXIMATE QUANTUM-MECHANICAL WAVE FUNCTIONS HAVING DISCONTINUITIES IN THEIR FIRST DERIVATIVES
HIRSCHFELD, J
论文数:
0
引用数:
0
h-index:
0
HIRSCHFELD, J
NAZAROFF, GV
论文数:
0
引用数:
0
h-index:
0
NAZAROFF, GV
[J].
JOURNAL OF CHEMICAL PHYSICS,
1961,
34
(05)
: 1666
-
&
[2]
JOSEPH A, 1967, INT J QUANTUM CHEM, V1, P567
[3]
A stationary principle for discontinuous trial functions and a framework for zero-differential-overlap theories of electronic structure
Weare, J. H.
论文数:
0
引用数:
0
h-index:
0
机构:
Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA
Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA
Weare, J. H.
Parr, R. G.
论文数:
0
引用数:
0
h-index:
0
机构:
Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA
Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA
Parr, R. G.
[J].
CHEMICAL PHYSICS LETTERS,
1967,
1
(09)
: 349
-
350
←
1
→