期刊
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
卷 119, 期 2, 页码 -出版社
WILEY
DOI: 10.1002/qua.25705
关键词
isotope effects; multicomponent wavefunction; muonic atoms; nuclear quantum effects; positron binding energy
类别
资金
- Banco de la republica
- Departamento Administrativo de Ciencia, Tecnologia e Innovacion
- Universidad Nacional de Colombia
The any particle molecular orbital (APMO) approach extends regular electronic structure methods to study atomic and molecular systems in which electrons and other particles are treated simultaneously as quantum waves. A number of electronic structure methodologies have been extended under the APMO framework and applied to investigate nuclear quantum effects including isotope effects and nuclear delocalization and to calculate proton binding energies and affinities. In addition, APMO methodologies have been employed to analyze physical and chemical properties of atomic and molecular systems containing exotic subatomic particles.
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