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The Density of States and Band Gap of Liquid Water by Sequential Monte Carlo/Quantum Mechanics Calculations
Liquid Water Sequential Monte Carlo/Quantum Mechanics Calculations DOS EG
2010/10/18
Electronic properties of liquid water were investigated by sequential Monte Carlo/Quantum mechanics calculations. The density of states (DOS) and HOMO-LUMO gap (EG) of liquid water have been determine...
Improved techniques in semiconductor fabrication increased the interest in quantum wire structures, because of their opto-electronic device application possibilities. Many-body interactions among the ...