Presentation Information

1:10 PM - 1:20 PM JST(4:10 AM - 4:20 AM UTC)Japanese

[A1441-2pm-02]Theoretical Study Using Lippmann-Schwinger Equation: Influence of Heteroatom Substitution on Single-Molecule Electrical Conductance.

○Mitsuhiro Nishida¹, Naoka Amamizu¹, Ryohei Kishi^1,2,3,4, Yasutaka Kitagawa^1,2,3,4,5 (1. Graduate School of Engineering Science, Osaka University, Japan, 2. QIQB, Osaka University, Japan, 3. RCSEC, Osaka University, Japan, 4. ICS-OTRI, Osaka University, Japan, 5. SRN-OTRI, Osaka University, Japan)

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Keywords:

heteroatom substitution,Lippmann-Schwinger equation,Density Functional Theory,real space grid,single-molecule electrical conduction

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