STUDY OF THE GROUND-STATES AND IONIZATION ENERGIES OF H-2, C2, N2, F2, AND CO MOLECULES BY THE VARIATIONAL CELLULAR METHOD

被引：19

作者：

BRESCANSIN, LM ^{[1
]}

LEITE, JR ^{[1
]}

FERREIRA, LG ^{[1
]}

机构：

[1] UNIV SAO PAULO,INST FIS,SAO PAULO,BRAZIL

来源：

JOURNAL OF CHEMICAL PHYSICS | 1979年 / 71卷 / 12期

关键词：

D O I：

10.1063/1.438305

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：

Self-consistent calculations for the ground state potential curves and ionization energies are reported for the molecules H2, C2, N2, F2, and CO, using the recent proposed variational cellular method. For all these molecules the results are quite good. The calculated binding energies, equilibrium interatomic distances, and energy ionization spectra are in excellent agreement with the available experimental findings. © 1979 American Institute of Physics.

引用

页码：4923 / 4930

页数：8

共 43 条

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