Werner Kutzelnigg

Universität Karlsruhe 
"Werner Kutzelnigg"
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Sokolov AY, Schaefer HF, Kutzelnigg W. (2014) Density cumulant functional theory from a unitary transformation: N-representability, three-particle correlation effects, and application to O4(+). The Journal of Chemical Physics. 141: 074111
Kutzelnigg W. (2013) Expansion of a wave function in a Gaussian basis. I. Local versus global approximation International Journal of Quantum Chemistry. 113: 203-217
Kutzelnigg W. (2012) Separation of strong (bond-breaking) from weak (dynamical) correlation Chemical Physics. 401: 119-124
Kutzelnigg W. (2012) Solved and unsolved problems in relativistic quantum chemistry Chemical Physics. 395: 16-34
Sun Q, Liu W, Kutzelnigg W. (2011) Comparison of restricted, unrestricted, inverse, and dual kinetic balances for four-component relativistic calculations Theoretical Chemistry Accounts. 129: 423-436
Simmonett AC, Wilke JJ, Schaefer HF, et al. (2010) Density cumulant functional theory: first implementation and benchmark results for the DCFT-06 model. The Journal of Chemical Physics. 133: 174122
Kutzelnigg W. (2010) An alternative hierarchy of electron correlation beyond the electron pair approximation. The Journal of Physical Chemistry. A. 114: 8913-22
Kutzelnigg W, Liu W. (2009) Relativistic theory of nuclear magnetic resonance parameters in a Gaussian basis representation. The Journal of Chemical Physics. 131: 044129
Kutzelnigg W. (2009) How many‐body perturbation theory (MBPT) has changed quantum chemistry International Journal of Quantum Chemistry. 109: 3858-3884
Kutzelnigg W. (2008) The principle-quantum-number (and the radial-quantum-number) expansion of the correlation energy of two-electron atoms. Physical Chemistry Chemical Physics : Pccp. 10: 3460-8
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