Helium dimer potential from symmetry-adapted perturbation theory

被引：56

作者：

Williams, HL

Korona, T

Bukowski, R

Jeziorski, B

Szalewicz, K

机构：

[1] ARMY RES LAB,WEAPONS TECHNOL DIRECTORATE,ABERDEEN PROVING GROUND,MD 21005

[2] WARSAW UNIV,DEPT CHEM,PL-02093 WARSAW,POLAND

[3] UNIV DELAWARE,DEPT PHYS & ASTRON,NEWARK,DE 19716

[4] UNIV COLORADO,JOINT INST LAB ASTROPHYS,BOULDER,CO 80309

[5] HARVARD SMITHSONIAN CTR ASTROPHYS,CAMBRIDGE,MA 02138

来源：

CHEMICAL PHYSICS LETTERS | 1996年 / 262卷 / 3-4期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/0009-2614(96)01078-0

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：

The intermolecular potential for the helium dimer has been computed using infinite-order symmetry-adapted perturbation theory and very large orbital and explicitly correlated basis sets. Our potential is significantly deeper than recent literature potentials, After adding the relativistic retardation correction, it accurately reproduces bulk properties of helium, the inclusion of retardation being essential for this agreement. Transport properties and virial coefficients are expected to be accurate enough to calibrate measuring apparatus.

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收藏

页码：431 / 436

页数：6

相关论文

共 36 条

[1] AN EXACT QUANTUM MONTE-CARLO CALCULATION OF THE HELIUM HELIUM INTERMOLECULAR POTENTIAL [J].

ANDERSON, JB ;

TRAYNOR, CA ;

BOGHOSIAN, BM .

JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (01) :345-351

[2] AN EXAMINATION OF ABINITIO RESULTS FOR THE HELIUM POTENTIAL-ENERGY CURVE [J].

AZIZ, RA ;

SLAMAN, MJ .

JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (12) :8047-8053

[3] AB-INITIO CALCULATIONS FOR HELIUM - A STANDARD FOR TRANSPORT PROPERTY MEASUREMENTS [J].

AZIZ, RA ;

JANZEN, AR ;

MOLDOVER, MR .

PHYSICAL REVIEW LETTERS, 1995, 74 (09) :1586-1589

[4] DIPOLE, QUADRUPOLE, OCTUPOLE, AND DIPOLE OCTUPOLE POLARIZABILITIES AT REAL AND IMAGINARY FREQUENCIES FOR H, HE, AND H2 AND THE DISPERSION-ENERGY COEFFICIENTS FOR INTERACTIONS BETWEEN THEM [J].

BISHOP, DM ;

PIPIN, J .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1993, 45 (04) :349-361

[5] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].

BOYS, SF ;

BERNARDI, F .

MOLECULAR PHYSICS, 1970, 19 (04) :553-&

[6] Basis set superposition problem in interaction energy calculations with explicitly correlated bases: Saturated second- and third-order energies for He-2 [J].

Bukowski, R ;

Jeziorski, B ;

Szalewicz, K .

JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (09) :3306-3319

[7] THE HE-2 POTENTIAL AT SMALL DISTANCES [J].

CEPERLEY, DM ;

PARTRIDGE, H .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (02) :820-821

[8] EFIMOV EFFECT IN COORDINATE SPACE FADDEEV-EQUATIONS [J].

FEDOROV, DV ;

JENSEN, AS .

PHYSICAL REVIEW LETTERS, 1993, 71 (25) :4103-4106

[9] RETARDED DIPOLE-DIPOLE DISPERSION INTERACTION POTENTIAL FOR HELIUM [J].

JAMIESON, MJ ;

DRAKE, GWF ;

DALGARNO, A .

PHYSICAL REVIEW A, 1995, 51 (04) :3358-3361

[10] SCATTERING LENGTHS AND EFFECTIVE RANGES FOR HE-HE AND SPIN-POLARIZED H-H AND D-D SCATTERING [J].

JAMIESON, MJ ;

DALGARNO, A ;

KIMURA, M .

PHYSICAL REVIEW A, 1995, 51 (03) :2626-2629

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