@article{garnier:hal-01310708, TITLE = {{Adaptive vibrational configuration interaction (A-VCI): a posteriori error estimation to efficiently compute anharmonic IR spectra}}, AUTHOR = {Garnier, Romain and Odunlami, Marc and Le Bris, Vincent and B{\'e}gu{\'e}, Didier and Baraille, Isabelle and Coulaud, Olivier}, URL = {https://inria.hal.science/hal-01310708}, JOURNAL = {{Journal of Chemical Physics}}, PUBLISHER = {{American Institute of Physics}}, VOLUME = {144}, NUMBER = {20}, YEAR = {2016}, MONTH = May, KEYWORDS = {Eigenvalues and eigenfunctions ; vibrational Schr{\"o}dinger}, PDF = {https://inria.hal.science/hal-01310708/file/avci.pdf}, HAL_ID = {hal-01310708}, HAL_VERSION = {v1}, }