Quantum many-body physics calculations with large language models by Haining Pan, Nayantara Mudur, William Taranto, Maria Tikhanovskaya, Subhashini Venugopalan, Yasaman Bahri, Michael P. Brenner, Eun-Ah Kim

“…We focus on a broadly-used approximation method in quantum physics: the Hartree-Fock method, requiring an analytic multi-step calculation deriving approximate Hamiltonian and corresponding self-consistency equations. …”
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Simulation of Electronic Structure of Aluminum Phosphide Nanocrystals Using Ab Initio Large Unit Cell Method by Hamad R. Jappor, Zeyad Adnan Saleh, Mudar A. Abdulsattar

“…Ab initio restricted Hartree-Fock method coupled with the large unit cell method is used to determine the electronic structure and physical properties of aluminum phosphide (AlP) nanocrystals between 216 and 1000 atoms with sizes ranging up to about 3 nm in diameter. …”
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Novel 2,3-unsaturated O-glycosides containing an alkynyl function in their aglycones by Adriana C.N. de Melo, Natália M. Bezerra, Rajendra M. Srivastava, Carlos Alberto de Simone

“…The aim was to study their conformational energies using ab initio Hartree Fock method with 6-31G as basis set. Two compounds, namely, (R)-(+)-3-butyn-2-yl 4,6-di-O-acetyl-2,3-dideoxy-α-D-erythro-hex-2-enopyranoside, 3d, and (R)-(+)-3-butyn-2-yl 4,6-di-O-acetyl-2,3-dideoxy-α-D-threo-hex-2-enopyranoside, 4d, were subjected to X-ray diffraction analyses and their experimental values compared with the calculated values obtained by molecular orbital calculations. …”
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