1. ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
2. André JM (1969) Self-consistent field theory for the electronic structure of polymers. J Chem Phys 50:1536–1542
3. Ashcroft NW, Mermin ND (1976) Solid state physics. Saunders, Philadelphia
4. Blaha P, Schwarz K, Madsen GKH, Kvasnicka D, Luitz J (2001) WIEN2k, An augmented plane wave + Local orbitals program for calculating crystal properties. Karlheinz Schwarz, Technische Universität Wien, Austria
5. Boettger JC, Trickey SB (1984) Total energy and pressure in the Gaussian-orbitals technique. I. Methodology with application to the high-pressure equation of state of neon. Phys Rev B 29:6425–6433