Publications

Peter Botschwinat, Rainer Oswald, Gerald Knizia, and Hans Joachim Werner. High-level ab-initio calculations for astrochemically relevant polyynes (HC₂11H), their isomers (C₂H₂) and their anions (C₂W). Zeitschrift fur Phys. Chemie, (223)4-5:447–460, 2009. [PUMA: werner cluster,Intersellar Dissociative enegies,Vibrational theoretische stuttgart chemie anions,Isomerization from:alexanderdenzel coupled electron correlated attachment,Explicitly frequencies theochem] URL

T. Schmelz, P. Rosmus, A. Berning, and H. J. Werner. Bound rovibronic levels of the HeN+2 (A2Π) complex. Spectrochim. Acta - Part A Mol. Biomol. Spectrosc., (53)8:1133–1138, 1997. [PUMA: werner theoretische stuttgart functions,Rovibronic chemie energy Electron spin from:alexanderdenzel theochem couplings,Potential levels] 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

László von Szentpály. Multiply Charged Anions, Maximum Charge Acceptance, and Higher Electron Affinities of Molecules, Superatoms, and Clusters. Acta Physico-Chimica Sinica, (34)6:675, Acta Phys. -Chim. Sin., 2018. [PUMA: theory;Valence-state charged density-functional ;Multiply laszlos Their theoretische stuttgart parabola sizes;Second affinity;Conceptual szentpaly chemie negative appearance electronegativity from:alexanderdenzel of electron ions, model theochem affinity;Third] URL