BROYDEN METHOD FOR SELF-CONSISTENT FIELD CONVERGENCE ACCELERATION

被引：104

作者：

SRIVASTAVA, GP

机构：

来源：

JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL | 1984年 / 17卷 / 06期

关键词：

D O I：

10.1088/0305-4470/17/6/002

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：L317 / L321

页数：5

共 12 条

[1] NEW APPROACH FOR SOLVING THE DENSITY-FUNCTIONAL SELF-CONSISTENT-FIELD PROBLEM [J].

BENDT, P ;

ZUNGER, A .

PHYSICAL REVIEW B, 1982, 26 (06) :3114-3137

[2]

BROYDEN CG, 1965, MATH COMPUT, V19, P577, DOI DOI 10.1090/S0025-5718-1965-0198670-6

[3]

BYRNE G, 1973, NUMERICAL SOLUTION S

[4] SELF-CONSISTENCY ITERATIONS IN ELECTRONIC-STRUCTURE CALCULATIONS [J].

DEDERICHS, PH ;

ZELLER, R .

PHYSICAL REVIEW B, 1983, 28 (10) :5462-5472

[5] RATE OF SELF-CONSISTENT-FIELD CONVERGENCE IN THE X-ALPHA METHOD [J].

DUNLAP, BI .

PHYSICAL REVIEW A, 1982, 25 (05) :2847-2849

[6] EXPLICIT LOCAL EXCHANGE-CORRELATION POTENTIALS [J].

HEDIN, L ;

LUNDQVIS.BI .

JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1971, 4 (14) :2064-&

[7] EFFICIENT ITERATION SCHEME FOR SELF-CONSISTENT PSEUDOPOTENTIAL CALCULATIONS [J].

KERKER, GP .

PHYSICAL REVIEW B, 1981, 23 (06) :3082-3084

[8]

Powell M., 1970, NUMERICAL METHODS NO, P87

[9] CONVERGENCE ACCELERATION OF ITERATIVE SEQUENCES - THE CASE OF SCF ITERATION [J].

PULAY, P .

CHEMICAL PHYSICS LETTERS, 1980, 73 (02) :393-398

[10] IMPROVED SCF CONVERGENCE ACCELERATION [J].

PULAY, P .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (04) :556-560

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