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M Shishkin

2PUBLICATIONS

1CO-AUTHORS

Electrical energy generation (incl. renewables, excl. photovoltaics)Theoretical quantum chemistry

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Publications (2)

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|Mar 23, 2021

Evaluation of redox potentials of cathode materials of alkali-ion batteries using extended DFT+U+U<sub>↑↓</sub> method: The role of interactions between the electrons with opposite spins.

M Shishkin, H Sato

|Jul 15, 2019

DFT+U in Dudarev's formulation with corrected interactions between the electrons with opposite spins: The form of Hamiltonian, calculation of forces, and bandgap adjustments.

M Shishkin, H Sato

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2 joint publications

H Sato

Frequent Collaborators

2 joint publications

H Sato

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