upward

Electronic coarse-graining

R E Larsen, Simple Extrapolation Method To Predict the Electronic Structure of Conjugated Polymers from Calculations on Oligomers, JPCC 120, 9650 (2016)

P D'Amico, L Agapito, A Catellani, A Ruini, S Curtarolo, M Fornari, M B Nardelli, A Calzolari, Accurate ab initio tight-binding Hamiltonians: Effective tools for electronic transport and optical spectroscopy from first principles, PRB 94, 165166 (2016)

B G Janesko, D Yaron, Functional Group Basis Sets, JCTC 1, 267 (2005)