Cluster Embedding Method with Non-orthogonal Wave Functions for Simulation of Nanodevices
Author:
Publisher
Springer Netherlands
Link
http://link.springer.com/content/pdf/10.1007/978-94-007-4119-5_18.pdf
Reference22 articles.
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2. Elsevier series on theoretical and computational chemistry;G Stefanucci,2007
3. Zacarias AG, Gross EKU (2010) Transport properties of chrysazine-type molecules. Theor Chem Acc 125:535–541. doi: 10.1007/s00214-009-0683-0
4. Kantorovich LN (1988) An embedded-molecular-cluster method for calculating the electronic structure of point defects in non-metallic crystals. I. General theory. J Phys C Solid State Phys 21:5041–5056; Kantorovich LN (1988) An embedded-molecular-cluster method for calculating the electronic structure of point defects in non-metallic crystals. II. Structural elements in a form of molecules. J Phys C Solid State Phys 21:5057–5073
5. Huzinaga S, Cantu AA (1971) Theory of separability of many-electron systems. J Chem Phys 55:5543–5549; Huzinaga S, Mc Williams D, Cantu AA (1973) Projection operators in Hartree-Fock theory. Adv Quantum Chem 7:187–220
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