Conference paper
Learning Reduced Order Dynamics via Geometric Representations
Imran Nasim, Melanie Weber
SCML 2024
Digital computer calculations in SCF MO approximation on the ground state of BeH from 2.0 a.u. out to dissociation are reported. There are two MO solutions differing in the forms, energies, and populations of the 2σ and 3σ MO's. One (1σ22σ23σ) minimizes the energy out to 4.26 a.u., the other (1σ22σ'3σ'2) at larger values. Copyright © 1971 John Wiley & Sons, Inc.
Imran Nasim, Melanie Weber
SCML 2024
Thomas H. Baum, Carl E. Larson, et al.
Journal of Organometallic Chemistry
Lawrence Suchow, Norman R. Stemple
JES
Ming L. Yu
Physical Review B