The Spectroscopic Features of Ionized Water Medium: Theoretical Characterization and Implication Using (H₂O)_n ⁺, n=3–4, Cluster Model

INIS

• water 100%
• cluster model 100%
• symmetry 66%
• protons 66%
• configuration interaction 66%
• bnl 66%
• levels 33%
• energy 33%
• sampling 33%
• populations 33%
• geometry 33%
• probability 33%
• size 33%
• algorithms 33%
• molecules 33%
• high temperature 33%
• isomers 33%
• solvents 33%
• monomers 33%
• density functional method 33%
• excitation 33%
• oscillator strengths 33%
• time dependence 33%
• functionals 33%

Chemistry

• Electronic Transition 100%
• Cluster Model 100%
• CCSD 66%
• Energetics 33%
• Oscillator Strength 33%
• Proton Transfer 33%
• Time-Dependent Density Functional Theory 33%
• Configuration Interaction 33%
• Density Functional Theory Approaches 33%
• Coupled Cluster Singles and Doubles Theory 33%
• Configuration Interaction Methods 33%
• Monomer 33%
• Solvent Molecule 33%