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Relativistic Correction from the Four-Body Nonadiabatic Exponential Wave Function

Year: 2024
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide We present a method for calculating the relativistic correction in hydrogen molecules that significantly exceeds the accuracy of all the previous literature results. This method utilizes the explicitly correlated nonadiabatic exponential wave function, and thus treats electrons and nuclei equivalently. The proposed method can be applied to any rovibrational state, including highly excited ones. The numerical precision of the relativistic correction reaches several kHz (∼10 –7 cm –1 ), which is below the best experimental accuracy.
Language: English
Open Access status: hybrid
Estimated APC paid: $4,500
OpenAlex ID: W4402899749
FWCI: 0.656
Cites: 34
Cited by: 4
Related to: 10