EXACT FORMULAS AND THEIR EVALUATION FOR SLATER-TYPE-ORBITAL OVERLAP INTEGRALS WITH LARGE QUANTUM NUMBERS

被引：35

作者：

JONES, HW

机构：

来源：

PHYSICAL REVIEW A | 1987年 / 35卷 / 04期

关键词：

D O I：

10.1103/PhysRevA.35.1923

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：1923 / 1926

页数：4

共 12 条

[1] MULTIPOLE AND OVERLAP INTEGRALS OVER REDUCED BESSEL-FUNCTIONS IN MOLECULAR QUANTUM-MECHANICS [J].

ANTOLOVIC, D ;

DELHALLE, J .

PHYSICAL REVIEW A, 1980, 21 (06) :1815-1828

[2] MOLECULAR OVERLAP INTEGRALS WITH EXPONENTIAL-TYPE ORBITALS [J].

BHATTACHARYA, AK ;

DHABAL, SC .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (03) :1598-1605

[3] EFFICIENT EVALUATION OF INFINITE-SERIES REPRESENTATIONS FOR OVERLAP, 2-CENTER NUCLEAR ATTRACTION, AND COULOMB INTEGRALS USING NONLINEAR CONVERGENCE ACCELERATORS [J].

GROTENDORST, J ;

WENIGER, EJ ;

STEINBORN, EO .

PHYSICAL REVIEW A, 1986, 33 (06) :3706-3726

[4]

JONES HW, 1978, INT J QUANTUM CHEM, V12, P483

[5] COMPUTER-GENERATED FORMULAS FOR OVERLAP INTEGRALS OF SLATER-TYPE ORBITALS [J].

JONES, HW .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 18 (03) :709-713

[6] EVALUATION OF 2-CENTER OVERLAP AND COULOMB INTEGRALS DERIVED FROM SLATER-TYPE ORBITALS [J].

JONES, HW .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1982, 21 (06) :1079-1089

[7] COMPUTER-GENERATED FORMULAS FOR 3-CENTER NUCLEAR-ATTRACTION INTEGRALS (ELECTROSTATIC POTENTIAL) FOR SLATER-TYPE ORBITALS [J].

JONES, HW .

PHYSICAL REVIEW A, 1984, 30 (01) :1-4

[8] FORMULAS AND NUMERICAL TABLES FOR OVERLAP INTEGRALS [J].

MULLIKEN, RS ;

RIEKE, CA ;

ORLOFF, D ;

ORLOFF, H .

JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (12) :1248-1267

[9] ANALYTIC EVALUATION OF 2-CENTER MOLECULAR INTEGRALS [J].

TAI, H .

PHYSICAL REVIEW A, 1986, 33 (06) :3657-3666

[10] UNIFIED TREATMENT OF 2-CENTER OVERLAP, COULOMB, AND KINETIC-ENERGY INTEGRALS [J].

TODD, HD ;

KAY, KG ;

SILVERSTONE, HJ .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (10) :3951-+

← 1 2 →