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Electronic structure of matter—wave functions and density functionals, W Kohn, RMP(1999)
Excellent material on DFT by KB
Density Functional Theory, R.M. Dreizler and E.K.U. Gross (Springer-Verlag, Berlin, 1990)
Density Functional Theory of Atoms and Molecules, R.G. Parr and W. Yang (Oxford, New York, 1989)
A chemist's guide to density functional theory, W. Koch and M.C. Holthausen, (Wiley-VCH, Weinheim, 2000)
A Primer in Density Functional Theory , C. Fiolhais, F. Nogueira, and M. Marques (Springer-Verlag, NY, 2003)
Time-dependent density functional theory, M. Marques, C.A. Ullrich, F. Noguiera, A. Rubio, K. Burke, and E.K.U. Gross (Springer, Heidelberg, 2006)

ABC of TB modeling for electronic structures
A Semi-empirical tight-binding theory of the electronic structure of semiconductors, JPCS, Vogl (1983)
Second neighbor TB for Si and Ge
Electronic structure of Si, Cohen, PRB(1974)
Spin splitting and the ultraviolet absorption of Ge, PR(1968)
Si tight-binding parameters from genetic algorithm fitting (sp3s*), Superlattice and Microstructures (2000)
Bond orbital model, Harrison, PRB (1974)
Empirical tight-binding force model for molecular-dynamics simulation of Si, Wang, PRB (1989)
Concurrent coupling of length scales Methodology and application, PRB (1999)


A density functional for sparse matter, JPCM, 2009

Carbon Nanomaterials

Carbon Nanotubes: Synthesis, Structure, Properties, and Applications, Springer 80, 2001, M S. Dresselhaus et al.

Quantum Transport
Learning basics
Electronic properties and quantum transport in Graphene based nanostructures
Ballistic conductance of magnetic Co and Ni nanowires with ultrasoft pseudo-potentials,
Ab initio pseudopotential method for the calculation of conductance in quantum wires, 1999
Effects of strain on electronic properties of graphene, PRB, 2010

Surface morphology

Theory of Sputtering. I. Sputtering Yield of Amorphous and Polycrystalline Targets, PR 1969
Theory of thermal grooving, JAP, 1957
A mechanism of surface micro-roughening by ion bombardment, JMS, 1973
Theory of ripple topography induced by ion bombardment, 1988
Anisotropic scaling of ripple morphologies on high-fluence sputtered silicon, PRB 2009
Theory of nanodot and sputter cone arrays produced by ion sputtering with concurrent deposition of impurities, PRB 2011
Spontaneous Pattern Formation Induced by Ion Bombardment of Binary Compounds, PRL 2010
Spontaneous Nanoscale Corrugation of Ion-Eroded SiO2 The Role of Ion-Irradiation-Enhanced Viscous Flow, PRL 2001
Nanoscale pattern formation at surfaces under ion-beam sputtering A perspective from continuum models - NIMB 2011