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physics.chem-ph2024
Finite-Field Cholesky Decomposed Coupled-Cluster Techniques (ff-CD-CC): Theory and Application to Pressure Broadening of Mg by a He Atmosphere and a Strong Magnetic Field
Simon Blaschke, Marios-Petros Kitsaras, Stella Stopkowicz
For the interpretation of spectra of magnetic stellar objects such as magnetic white dwarfs (WDs) highly accurate quantum chemical predictions for atoms and molecules in finite mag…
physics.chem-ph2015
Current Density-Functional Theory using meta-Generalized Gradient Exchange--Correlation Functionals
James W. Furness, Joachim Verbeke, Erik I. Tellgren +4
We present the self-consistent implementation of current-dependent (hybrid) meta generalized gradient approximation (mGGA) density functionals using London atomic orbitals. A previ…