QUANTUM MECHANICAL DESIGN OF ELEMENTS OF MOLECULAR QUANTUM COMPUTERS BASED ON BILIVERDIN AND AZA-FULLERENE COMPOUNDS

摘要

Quantum mechanical investigations of hydrogen and nitrogen atom Nuclear Magnetic Resonance (NMR) values of Cu, Co, Zn, Mn and Fe biliverdin derivatives and their dimers and aza-fullerene C_(48)N_(12) adducts using ab initio and first principle methods indicate that these modified derivatives should generate from one to seven and eleven, twelve, eighteen, nineteen Quantum Bits (QuBits). It is developed analysis of localized orbitals that gives additional information concerning the nature of proton NMR of the investigated six QuBits generating Cu biliverdin derivative in different electronic states that allow to apply this analysis to other proton NMR quantum computing devices.