AN EFFICIENT DENSITY FUNCTIONAL ALGORITHM IN A STRONG MAGNETIC FIELD

DOI10.1142/S0217979208050061MaRDI QIDQ3630883zbMATH OpenFDO

Authors S. Janecek, E. Krotscheck

Publication date 5 June 2009

Published in International Journal of Modern Physics B (Search for Journal in Brave)

Mathematics Subject Classification ID

Statistical mechanics of solids (82D20)

Recommendations

• Fourth-order algorithms for solving local Schrödinger equations in a strong magnetic field
• Electronic structure calculations in a uniform magnetic field using periodic supercells
• Multi-electron systems in strong magnetic fields. II: A fixed-phase diffusion quantum Monte Carlo application based on trial functions from a Hartree-Fock-Roothaan method
• Finite-temperature density functional theory of atoms in strong magnetic fields.
• NMR chemical shifts in periodic systems from first principles

Cites work

• Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
• Symplectic integrators from composite operator factorizations

Cited in

(9)

• Fourth-order algorithms for solving local Schrödinger equations in a strong magnetic field
• NMR chemical shifts in periodic systems from first principles
• Electronic structure calculations in a uniform magnetic field using periodic supercells
• Fast and robust algorithm for energy minimization of spin systems applied in an analysis of high temperature spin configurations in terms of skyrmion density
• An efficient implementation of high-order coupled-cluster techniques applied to quantum magnets
• Efficient algorithm to compute the Berry conductivity
• Multi-electron systems in strong magnetic fields. II: A fixed-phase diffusion quantum Monte Carlo application based on trial functions from a Hartree-Fock-Roothaan method
• Current-density functional study of the neon atom in a strong ultrashort magnetic field
• Efficient self-consistency for magnetic tight binding

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