@techreport{baraille:hal-01485877, TITLE = {{A-VCI: a flexible method to efficiently compute vibrational spectra}}, AUTHOR = {Baraille, Isabelle and B{\'e}gu{\'e}, Didier and Coulaud, Olivier and Le Bris, Vincent and Odunlami, Marc}, URL = {https://inria.hal.science/hal-01485877}, TYPE = {Research Report}, NUMBER = {RR-9043}, PAGES = {35}, INSTITUTION = {{Inria}}, YEAR = {2017}, MONTH = Mar, KEYWORDS = {Vibrational Hamiltonian ; vibrational Configuration Interaction ; Eigenvalue problem ; adaptive method ; high dimension ; spectrum ; acetonitrile ; ethylene oxide ; Hamiltonien vibrationnel ; interaction de configuration vibrationnelle ; probl{\`e}me aux valeurs propres ; m{\'e}thode adaptative ; grande dimension ; spectre ; ac{\'e}tonitrile ; oxyde d'{\'e}thyl{\`e}ne}, PDF = {https://inria.hal.science/hal-01485877/file/RR-9043.pdf}, HAL_ID = {hal-01485877}, HAL_VERSION = {v1}, }