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Klooster, Rob, Broer, Ria, Filatov, Michael (2012) Calculation of X-ray photoelectron spectra with the use of the normalized elimination of the small component method. Chemical Physics, 395. 122-127 doi:10.1016/j.chemphys.2011.05.009

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Reference TypeJournal (article/letter/editorial)
TitleCalculation of X-ray photoelectron spectra with the use of the normalized elimination of the small component method
JournalChemical Physics
AuthorsKlooster, RobAuthor
Broer, RiaAuthor
Filatov, MichaelAuthor
Year2012 (February)Volume395
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2011.05.009Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5962842Long-form Identifiermindat:1:5:5962842:8
GUID0
Full ReferenceKlooster, Rob, Broer, Ria, Filatov, Michael (2012) Calculation of X-ray photoelectron spectra with the use of the normalized elimination of the small component method. Chemical Physics, 395. 122-127 doi:10.1016/j.chemphys.2011.05.009
Plain TextKlooster, Rob, Broer, Ria, Filatov, Michael (2012) Calculation of X-ray photoelectron spectra with the use of the normalized elimination of the small component method. Chemical Physics, 395. 122-127 doi:10.1016/j.chemphys.2011.05.009
In(n.d.) Chemical Physics Vol. 395. Elsevier BV

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Zou, Wenli, Filatov, Michael, Cremer, Dieter (2012) Analytic calculation of second-order electric response properties with the normalized elimination of the small component (NESC) method. The Journal of Chemical Physics, 137 (8). 84108pp. doi:10.1063/1.4747335
Filatov, Michael, Zou, Wenli, Cremer, Dieter (2013) Spin-orbit coupling calculations with the two-component normalized elimination of the small component method. The Journal of Chemical Physics, 139 (1). 14106pp. doi:10.1063/1.4811776
Zou, Wenli, Filatov, Michael, Cremer, Dieter (2015) Analytical energy gradient for the two-component normalized elimination of the small component method. The Journal of Chemical Physics, 142 (21). 214106pp. doi:10.1063/1.4921915
Filatov, Michael, Zou, Wenli, Cremer, Dieter (2012) Relativistically corrected electric field gradients calculated with the normalized elimination of the small component formalism. The Journal of Chemical Physics, 137 (5). 54113pp. doi:10.1063/1.4742175
Filatov, Michael, Cremer, Dieter (2005) Connection between the regular approximation and the normalized elimination of the small component in relativistic quantum theory. The Journal of Chemical Physics, 122 (6). 64104pp. doi:10.1063/1.1844298
Zou, Wenli, Filatov, Michael, Cremer, Dieter (2011) Development and application of the analytical energy gradient for the normalized elimination of the small component method. The Journal of Chemical Physics, 134 (24). 244117pp. doi:10.1063/1.3603454
Filatov, Michael, Zou, Wenli, Cremer, Dieter (2012) Analytic Calculation of Isotropic Hyperfine Structure Constants Using the Normalized Elimination of the Small Component Formalism. The Journal of Physical Chemistry A, 116 (13). 3481-3486 doi:10.1021/jp301224u
Zou, Wenli, Filatov, Michael, Atwood, David, Cremer, Dieter (2013) Removal of Mercury from the Environment: A Quantum-Chemical Study with the Normalized Elimination of the Small Component Method. Inorganic Chemistry, 52 (5) 2497-2504 doi:10.1021/ic302444b
Filatov, Michael, Cremer, Dieter (2003) Relativistically corrected geometries obtained with analytical gradients: normalized elimination of the small component using an effective potential. Chemical Physics Letters, 370. 647-653 doi:10.1016/s0009-2614(03)00181-7
Filatov, Michael, Cremer, Dieter (2002) A new quasi-relativistic approach for density functional theory based on the normalized elimination of the small component. Chemical Physics Letters, 351. 259-266 doi:10.1016/s0009-2614(01)01357-4
Filatov, Michael, Cremer, Dieter (2003) Relativistically corrected nuclear magnetic resonance chemical shifts calculated with the normalized elimination of the small component using an effective potential-NMR chemical shifts of molybdenum and tungsten. The Journal of Chemical Physics, 119 (2). 701-712 doi:10.1063/1.1580091
 
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