Polarization consistent basis sets. IV. The basis set convergence of equilibrium geometries, harmonic vibrational frequencies, and intensities. Jensen, F. Journal of Chemical Physics, 118(6):2459–2463, 2003. Paper doi bibtex @article{jensen_polarization_2003,
title = {Polarization consistent basis sets. {IV}. {The} basis set convergence of equilibrium geometries, harmonic vibrational frequencies, and intensities},
volume = {118},
url = {http://scitation.aip.org/content/aip/journal/jcp/118/6/10.1063/1.1535905},
doi = {doi:http://dx.doi.org/10.1063/1.1535905},
number = {6},
journal = {Journal of Chemical Physics},
author = {Jensen, Frank},
year = {2003},
keywords = {convergence of numerical methods, density functional theory, infrared spectra, molecular configurations, spectral line intensity, vibrational states},
pages = {2459--2463},
}
Downloads: 0
{"_id":"WbDHGTZ5m5kDrXy4L","bibbaseid":"jensen-polarizationconsistentbasissetsivthebasissetconvergenceofequilibriumgeometriesharmonicvibrationalfrequenciesandintensities-2003","author_short":["Jensen, F."],"bibdata":{"bibtype":"article","type":"article","title":"Polarization consistent basis sets. IV. The basis set convergence of equilibrium geometries, harmonic vibrational frequencies, and intensities","volume":"118","url":"http://scitation.aip.org/content/aip/journal/jcp/118/6/10.1063/1.1535905","doi":"doi:http://dx.doi.org/10.1063/1.1535905","number":"6","journal":"Journal of Chemical Physics","author":[{"propositions":[],"lastnames":["Jensen"],"firstnames":["Frank"],"suffixes":[]}],"year":"2003","keywords":"convergence of numerical methods, density functional theory, infrared spectra, molecular configurations, spectral line intensity, vibrational states","pages":"2459–2463","bibtex":"@article{jensen_polarization_2003,\n\ttitle = {Polarization consistent basis sets. {IV}. {The} basis set convergence of equilibrium geometries, harmonic vibrational frequencies, and intensities},\n\tvolume = {118},\n\turl = {http://scitation.aip.org/content/aip/journal/jcp/118/6/10.1063/1.1535905},\n\tdoi = {doi:http://dx.doi.org/10.1063/1.1535905},\n\tnumber = {6},\n\tjournal = {Journal of Chemical Physics},\n\tauthor = {Jensen, Frank},\n\tyear = {2003},\n\tkeywords = {convergence of numerical methods, density functional theory, infrared spectra, molecular configurations, spectral line intensity, vibrational states},\n\tpages = {2459--2463},\n}\n\n","author_short":["Jensen, F."],"key":"jensen_polarization_2003","id":"jensen_polarization_2003","bibbaseid":"jensen-polarizationconsistentbasissetsivthebasissetconvergenceofequilibriumgeometriesharmonicvibrationalfrequenciesandintensities-2003","role":"author","urls":{"Paper":"http://scitation.aip.org/content/aip/journal/jcp/118/6/10.1063/1.1535905"},"keyword":["convergence of numerical methods","density functional theory","infrared spectra","molecular configurations","spectral line intensity","vibrational states"],"metadata":{"authorlinks":{}},"html":""},"bibtype":"article","biburl":"https://bibbase.org/zotero/kjelljorner","dataSources":["64RFiGdCa5JLg5kLH"],"keywords":["convergence of numerical methods","density functional theory","infrared spectra","molecular configurations","spectral line intensity","vibrational states"],"search_terms":["polarization","consistent","basis","sets","basis","set","convergence","equilibrium","geometries","harmonic","vibrational","frequencies","intensities","jensen"],"title":"Polarization consistent basis sets. IV. The basis set convergence of equilibrium geometries, harmonic vibrational frequencies, and intensities","year":2003}