Electroweak quantum chemistry for nuclear-magnetic-resonance-shielding constants: Impact of electron correlation

One promising route towards the first experimental verification of parity violation (PV) in chiral molecular systems is the detection of line splittings between nuclear magnetic resonance (NMR) spectra of enantiomers. Those numerical methods which can be systematically refined and allow for an accur...

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Veröffentlicht in:	Physical review. A, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2006-09, Vol.74 (3), Article 032105
Hauptverfasser:	Laubender, Guido, Berger, Robert
Format:	Artikel
Sprache:	eng
Schlagworte:	ATOMIC AND MOLECULAR PHYSICS CHIRALITY CONFIGURATION INTERACTION DENSITY FUNCTIONAL METHOD ELECTRON CORRELATION ELECTRONS HEAVY NUCLEI HYDROGEN PEROXIDE NMR SPECTRA NUCLEAR MAGNETIC RESONANCE NUCLEAR SCREENING OXYGEN 17 P INVARIANCE PARITY SELENIUM 77 WEAK INTERACTIONS
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