Publications

Toru Shiozaki, and Hans Joachim Werner. Multireference explicitly correlated F12 theories. Mol. Phys., (111)5:607–630, 2013. [PUMA: werner configuration methods,multireference perturbation correlation,internal theoretische CASPT2,F12,MRCI,explicit contraction,multireference stuttgart chemie from:alexanderdenzel interaction,multireference theochem theory] URL

Peter J. Knowles, and Hans Joachim Werner. Internally contracted multiconfiguration-reference configuration interaction calculations for excited states. Theor. Chim. Acta, (84)1-2:95–103, October 1992. [PUMA: chemie werner from:alexanderdenzel states,Quantum Configuration chemistry interaction,Excited theoretische stuttgart theochem] URL

Hans Joachim Werner, and Peter J. Knowles. A comparison of variational and non-variational internally contracted multiconfiguration-reference configuration interaction calculations. Theor. Chim. Acta, (78)3:175–187, 1990. [PUMA: chemie werner from:alexanderdenzel Configuration theoretische stuttgart interaction,Diatomic theochem molecules,Non-variational,Variational] URL

Hans Joachim Werner. Perspective on "theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions". Theor. Chem. Acc., (103)3-4:322–325, 2000. [PUMA: werner interaction,Electron configuration Configuration theoretische stuttgart pair chemie from:alexanderdenzel correlation,Local correlation,Self-consistent theories electron interaction,Direct theochem] URL

V. M. Rodriguez-Betancourtt, V. M. Quezada-Navarro, M. Neff, and G. Rauhut. Anharmonic frequencies of ［F, C, N, X］ isomers (X = O, S) obtained from explicitly correlated coupled-cluster calculations. Chem. Phys., (387)1-3:1–4, August 2011. [PUMA: configuration theoretische stuttgart calculations,FNCO coupled-cluster chemie isomers,Vibrational from:alexanderdenzel frequencies,Explicitly rauhut calculations Anharmonic interaction theochem] URL