Search Results - "Lange, Kai K"

A Paramagnetic Bonding Mechanism for Diatomics in Strong Magnetic Fields by Lange, Kai K., Tellgren, E. I., Hoffmann, M. R., Helgaker, T.

“…Elementary chemistry distinguishes two kinds of strong bonds between atoms in molecules: the covalent bond, where bonding arises from valence electron pairs…”
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Excited States of Molecules in Strong Uniform and Nonuniform Magnetic Fields by Sen, Sangita, Lange, Kai K, Tellgren, Erik I

“…This paper reports an implementation of Hartree–Fock linear response with complex orbitals for computing electronic spectra of molecules in strong external…”
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Excited states of molecules in strong uniform and non-uniform magnetic fields by Sen, Sangita, Lange, Kai K, Tellgren, Erik I

“…This paper reports an implementation of Hartree-Fock linear response with complex orbitals for computing electronic spectra of molecules in a strong external…”
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Coupled-cluster theory for atoms and molecules in strong magnetic fields by Stopkowicz, Stella, Gauss, Jürgen, Lange, Kai K, Tellgren, Erik I, Helgaker, Trygve

“…An implementation of coupled-cluster (CC) theory to treat atoms and molecules in finite magnetic fields is presented. The main challenges stem from the…”
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