The ground states of small atoms and molecules, namely those of the hydrogen, helium, and lithium atoms and the hydrogen molecular ion and hydrogen molecule, are studied in the presence of an external magnetic field. For the one-electron systems the ground state is of the same symmetry for arbitrary
Many-body approaches to atoms and molecules in external magnetic fields
✍ Scribed by Matthew D. Jones; Gerardo Ortiz; David M. Ceperley
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 696 KB
- Volume
- 64
- Category
- Article
- ISSN
- 0020-7608
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✦ Synopsis
The proper treatment of many-body effects for fermions has long been a goal of theorists working in atomic and molecular physics. The computational demands of such a treatment, however, when coupled to the added difficulties imposed by the presence of external electromagnetic sources, have resulted in few studies of many-body effects in strong magnetic fields, i.e., in the field regime where perturbation theory is no longer applicable. In this article, we review the fundamental aspects of the problem and describe a variety of theoretical approaches for small atoms and molecules in strong Ž . fields, beginning with mean-field theory Hartree᎐Fock and progressing through variational and exact stochastic methods.
📜 SIMILAR VOLUMES
The ground-state density amplitude r for atoms and molecules Ž . satisfies a Schrodinger equation in which the customary one-body potential energy V r ¨Ž . of density functional theory is supplemented by the addition of the Pauli potential V r . p Since neither the exchange᎐correlation potential V o
A potential energy picture for the hydrogen atom in crossed electric and magnetic fields is derived. Potential and kinetic energy terms of the exact Hamiltonian are identified via the Newtonian equations of motion. Because of the finite nuclear mass a diamagnetic potential term is present which prev
The efficient evaluation of the second-order expression in the many-body perturbation theory expansion for the correlation energy on vector processing and parallel processing computers is discussed. It is argued that the linked diagram theorem not only leads to the well known theoretical advantages