%0 Journal Article %1 doi:10.1021/cr2002239 %A Helgaker, Trygve %A Coriani, Sonia %A Jorgensen, Poul %A Kristensen, Kasper %A Olsen, Jeppe %A Ruud, Kenneth %D 2012 %J Chemical Reviews %K chemistry cluster coupled fock hartree mcscf optical perturbation properties quantum reponse review theory %N 1 %P 543-631 %R 10.1021/cr2002239 %T Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations %U http://pubs.acs.org/doi/abs/10.1021/cr2002239 %V 112 %X A review of the formalism and computational methods for determining molecular properties from ab initio wave function-based approaches. Section headings are: Introduction; Electronic Hamiltonian; Response Theory for Exact States; Response Theory for Approximate States; Survey of Molecular Properties; Pure Vibrational Corrections; Molecular Properties in the Liquid and Solid Phases; Concluding Remarks.

@article{doi:10.1021/cr2002239, abstract = {A review of the formalism and computational methods for determining molecular properties from ab initio wave function-based approaches. Section headings are: Introduction; Electronic Hamiltonian; Response Theory for Exact States; Response Theory for Approximate States; Survey of Molecular Properties; Pure Vibrational Corrections; Molecular Properties in the Liquid and Solid Phases; Concluding Remarks.}, added-at = {2012-02-10T22:57:32.000+0100}, author = {Helgaker, Trygve and Coriani, Sonia and Jorgensen, Poul and Kristensen, Kasper and Olsen, Jeppe and Ruud, Kenneth}, biburl = {https://www.bibsonomy.org/bibtex/230fd1a254554574146b57467abf0c1aa/drmatusek}, description = {Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations - Chemical Reviews (ACS Publications)}, doi = {10.1021/cr2002239}, eprint = {http://pubs.acs.org/doi/pdf/10.1021/cr2002239}, interhash = {d24101036fe6d28bf01cf40c1668ca9e}, intrahash = {30fd1a254554574146b57467abf0c1aa}, journal = {Chemical Reviews}, keywords = {chemistry cluster coupled fock hartree mcscf optical perturbation properties quantum reponse review theory}, month = {January}, number = 1, pages = {543-631}, timestamp = {2012-12-29T02:20:56.000+0100}, title = {Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations}, url = {http://pubs.acs.org/doi/abs/10.1021/cr2002239}, volume = 112, year = 2012 }