Article ID Journal Published Year Pages File Type
5383385 Chemical Physics Letters 2012 6 Pages PDF
Abstract
► ECG-NOMO is a rigorous non-Born-Oppenheimer theory. ► The electron-electron correlation is important for ECG-NOMO. ► We propose the correlation methodologies for the ECG-NOMO theory. ► The ECG-NOMO zero-point energies are close to the experimental results.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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