From the 1 of 6 linked papers with an AI index.
6 papers
Foldy--Wouthuysen Transformation of the Generalized Dirac Equation in Symmetric Teleparallel Gravity
Sabutay Ugur, Muzaffer Adak, Ali Bagci +1
The paper derives the non‑relativistic Hamiltonian for a generalized Dirac fermion in a weak, static symmetric teleparallel gravitational field, using Foldy–Wouthuysen transformati…
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…
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…
N-dimensional Coulomb-Sturmians with noninteger quantum numbers
Ali Bagci
Coulomb-Sturmian functions are complete, orthonormal, and include the full spectrum of continuum states. They are restricted to integer values of quantum numbers, as imposed by bou…
Multidimensional derivative-free optimization. A case study on minimization of Hartree-Fock-Roothaan energy functionals
A. Bagci
This study presents an evaluation of derivative-free optimization algorithms for the direct minimization of Hartree-Fock-Roothaan energy functionals involving nonlinear orbital par…
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…