Towards complete solutions to systems of nonlinear equations of many-electron theories

被引:71
作者
Kowalski, K [1 ]
Jankowski, K [1 ]
机构
[1] Nicholas Copernicus Univ, Inst Phys, PL-87100 Torun, Poland
关键词
D O I
10.1103/PhysRevLett.81.1195
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Employing the homotopy method we have obtained the complete set of real solutions to the equations of the restricted Hartree-Fock method as well as the full set of solutions to the equations of the coupled-cluster-with-doubles method for the H4 and P4 models broadly applied in various many-electron studies. These ate the first global results obtained so far for any formulations of the Hartree-Fock and coupled-cluster methods when applied to realistic models. [S0031-9007(98)06772-6].
引用
收藏
页码:1195 / 1198
页数:4
相关论文
共 24 条
[1]   MULTIPLE SOLUTIONS AND SPATIAL SYMMETRY PROPERTIES OF SINGLET AND TRIPLET-STATES IN THE HALF-PROJECTED HARTREE-FOCK METHOD [J].
BOTELLA, V ;
CASTANO, O ;
FERNANDEZSERRA, P ;
SMEYERS, YG .
CHEMICAL PHYSICS LETTERS, 1994, 219 (5-6) :497-501
[2]  
CIZEK J, 1966, J CHEM PHYS, V45, P4256
[3]   SHORT-RANGE CORRELATIONS IN NUCLEAR WAVE FUNCTIONS [J].
COESTER, F ;
KUMMEL, H .
NUCLEAR PHYSICS, 1960, 17 (03) :477-485
[4]  
COX D, 1992, IDEALS VARIETIES ALG
[5]   APPLICATIONS OF MULTIREFERENCE PERTURBATION-THEORY TO POTENTIAL-ENERGY SURFACES BY OPTIMAL PARTITIONING OF H - INTRUDER STATES AVOIDANCE AND CONVERGENCE ENHANCEMENT [J].
FINLEY, JP ;
CHAUDHURI, RK ;
FREED, KF .
JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (12) :4990-5010
[6]   THEORY OF UNRESTRICTED HARTREE-FOCK EQUATION AND ITS SOLUTIONS .1. [J].
FUKUTOME, H .
PROGRESS OF THEORETICAL PHYSICS, 1971, 45 (05) :1382-&
[7]   MULTIPLE STATIONARY POINT REPRESENTATIONS IN MC SCF CALCULATIONS [J].
GOLAB, JT ;
YEAGER, DL ;
JORGENSEN, P .
CHEMICAL PHYSICS, 1985, 93 (01) :83-100
[8]   APPLICABILITY OF VALENCE-UNIVERSAL MULTIREFERENCE COUPLED-CLUSTER THEORIES TO QUASI-DEGENERATE ELECTRONIC STATES .2. MODELS INVOLVING 3-BODY AMPLITUDES [J].
JANKOWSKI, K ;
PALDUS, J ;
GRABOWSKI, I ;
KOWALSKI, K .
JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (04) :3085-3095
[9]   MULTIPLE SOLUTIONS OF THE SINGLE-REFERENCE COUPLED-CLUSTER EQUATIONS .1. H4 MODEL REVISITED [J].
JANKOWSKI, K ;
KOWALSKI, K ;
JANKOWSKI, P .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1994, 50 (05) :353-367
[10]   MULTIPLE SOLUTIONS OF THE SINGLE-REFERENCE COUPLED-CLUSTER EQUATIONS .2. ALTERNATIVE REFERENCE STATES [J].
JANKOWSKI, K ;
KOWALSKI, K ;
JANKOWSKI, P .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1995, 53 (05) :501-514