MODIFIED BROYDEN METHOD FOR ACCELERATING CONVERGENCE IN SELF-CONSISTENT CALCULATIONS

被引：463

作者：

JOHNSON, DD

机构：

来源：

PHYSICAL REVIEW B | 1988年 / 38卷 / 18期

关键词：

D O I：

10.1103/PhysRevB.38.12807

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

收藏

页码：12807 / 12813

页数：7

相关论文

共 18 条

[11] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS
KOHN, W
SHAM, LJ
[J]. PHYSICAL REVIEW, 1965, 140 (4A): : 1133 - &
[12] KRAKAUER H, COMMUNICATION
[13] PAPACONSTANTOPO.D, COMMUNICATION
[14] PEDERSON MR, COMMUNICATION
[15] EFFICIENT METHOD FOR FINDING MINIMUM OF FUNCTION OF SEVERAL-VARIABLES WITHOUT CALCULATING DERIVATIVES
POWELL, MJD
[J]. COMPUTER JOURNAL, 1964, 7 (02) : 155 - &
[16] CONVERGENCE ACCELERATION OF ITERATIVE SEQUENCES - THE CASE OF SCF ITERATION
PULAY, P
[J]. CHEMICAL PHYSICS LETTERS, 1980, 73 (02) : 393 - 398
[17] BROYDEN METHOD FOR SELF-CONSISTENT FIELD CONVERGENCE ACCELERATION
SRIVASTAVA, GP
[J]. JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1984, 17 (06): : L317 - L321
[18] TOTAL ENERGIES OF DIAMOND (111) SURFACE RECONSTRUCTIONS BY A LINEAR COMBINATION OF ATOMIC ORBITALS METHOD
VANDERBILT, D
LOUIE, SG
[J]. PHYSICAL REVIEW B, 1984, 30 (10): : 6118 - 6130