One-Center Expansion of Molecular Wave Function

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概要

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• The possibility of expanding molecular wave functions into a series of functions with single center is examined. The calculations are performed for the ground state energies of H_2^+ and H_2 with reasonable results. For example, a simple expansion yields 3.80 e.v. as the binding energy of H_2. The advantage of this method is, above all, its simplicity in calculations.

• 理論物理学刊行会の論文

著者

• Huzinaga Sigeru

  Department Of Chemistry University Of Alberta Edmonton

関連論文

• On the Elastic Frequency Distribution Function of Simple Crystals
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• One-Center Expansion of Molecular Wave Function, II : Lower Excited States of H_2
• One-Center Expansion of Molecular Wave Function
• A General SCF Formalism
• Interaction between Electrons in Two-Dimensional Free-Electron Model for Conjugated Systems

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