Electronic States of Al3As2, Al3As2-, Al3As2+, Al2As3, Al2As3-, and Al2As3+

Ping Feng; Dingguo Dai; K. Balasubramanian

doi:10.1021/jp993074+

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Electronic States of Al₃As₂, Al₃As₂^-, Al₃As₂⁺, Al₂As₃, Al₂As₃^-, and Al₂As₃⁺

Ping Feng Dingguo Dai K. Balasubramanian

Year: 1999 Journal: The Journal of Physical Chemistry A Vol: 104 (2)Pages: 422-432 Publisher: American Chemical Society

DOI: 10.1021/jp993074+

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Abstract

We have computed the optimized geometries and energy separations for the electronic states of Al3As2, Al2As3, and their positive and negative ions using complete active-space MCSCF (CASSCF) followe...

Keywords:

Ion Atomic physics Complete active space Electronic structure Physics Chemistry Nuclear physics Computational chemistry Electron Atomic orbital Quantum mechanics

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Advanced Chemical Physics Studies

Physical Sciences → Physics and Astronomy → Atomic and Molecular Physics, and Optics

Machine Learning in Materials Science

Physical Sciences → Materials Science → Materials Chemistry

Atomic and Molecular Physics

Physical Sciences → Physics and Astronomy → Atomic and Molecular Physics, and Optics

Electronic States of Al₃As₂, Al₃As₂^-, Al₃As₂⁺, Al₂As₃, Al₂As₃^-, and Al₂As₃⁺

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