Scaled Schrödinger equation and the exact wave function

We propose the scaled Schrödinger equation and the related principles, and construct a general method of calculating the exact wave functions of atoms and molecules in analytical forms. The nuclear and electron singularity problems no longer occur. Test applications to hydrogen atom, helium atom, an...

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Veröffentlicht in:	Physical review letters 2004-07, Vol.93 (3), p.030403.1-030403.4, Article 030403
1. Verfasser:	NAKATSUJI, Hiroshi
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Classical and quantum physics: mechanics and fields Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Formalism Physics Quantum mechanics Theory of electronic structure, electronic transitions, and chemical binding
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Beschreibung
Zusammenfassung:	We propose the scaled Schrödinger equation and the related principles, and construct a general method of calculating the exact wave functions of atoms and molecules in analytical forms. The nuclear and electron singularity problems no longer occur. Test applications to hydrogen atom, helium atom, and hydrogen molecule are satisfactory, implying a high potentiality of the proposed method.
ISSN:	0031-9007 1079-7114
DOI:	10.1103/PhysRevLett.93.030403