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quant-ph2025
Complete and Orthonormal Sets of Exponential-type Orbitals with non-integer quantum numbers. On the results for many-electron atoms using Roothaan's LCAO method
Ali Bagci, Philip E. Hoggan
Complete orthonormal sets of exponential-type orbitals with non-integer principal quantum numbers are discussed as basis functions in non-relativistic Hartree-Fock-Roothaan electro…
math-ph2025
The Generalized Dirac Equation in the Metric Affine Spacetime
Muzaffer Adak, Ali Bagci, Caglar Pala +1
We discuss the most general form of Dirac equation in the nonRiemannian spacetimes containing curvature, torsion and nonmetricity. It includes all bases of the Clifford algeb…
cond-mat.mtrl-sci2025
Short time-to-solution Quantum Monte Carlo for catalysed hydrogen synthesis. Tools give CO hydrolysis activation barriers to 1kJ/mol on Pt(111)
Ali Bagci, Philip E Hoggan
Hydrogen synthesis is a clean, sustainable alternative to fossil fuel \cite{gals}. It has come of age: prototyping various aspects of hydrogen power are hot topics. In 9 out of 10…