{"dcterms:modified":"2024-03-19","dcterms:creator":"DataverseNO","@type":"ore:ResourceMap","@id":"https://dataverse.no/api/datasets/export?exporter=OAI_ORE&persistentId=https://doi.org/10.18710/C9OZWV","ore:describes":{"citation:dsDescription":[{"citation:dsDescriptionValue":"This dataset contains raw input and output files for the LSDALTON calculations\r\nreported in \"Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon\r\nAbsorption of Aqueous Solutions\".\r\n\r\nThe version of LSDALTON used for this paper uses three input files:\r\n- a .dal file with input directives for the quantum mechanical calculation.\r\n- a .mol file with the cartesian coordinates of the target molecule in the\r\n focuses model. This file also specifies the Gaussian basis set.\r\n- a .pcm file with the input directives for the classical environment.\r\n\r\nThe names of the various output files follow from the names of the input files according to these following scheme:\r\n\r\n