It has been recently discovered that certain molecules based on nickel dithiolenes may contain Cooper pairs so that appropriate assemblies thereof may form high temperature superconductors.\u00a0 As the excitation energies in these molecules are about 0.1 eV, corresponding to thousands of Kelvin, superconductivity might persist to very high temperatures.\u00a0 In this project, quantum-chemistry programs, particularly the GAMESS Generalize Atomic and Molecular Electronic Structure System1, will be used to calculate the ground state properties of various nickel dithiolenes.\u00a0Although 0.1 eV is large on the thermal scale it is very small on the energy scales of electronic excitations.\u00a0 Therefore, various numerical approximations will be used to verify or disprove these results.\u00a0 Simple analytic theory will be used to help guide the nature of the numerical calculations and to help understand which molecules can usefully be examined.\u00a0\u00a0 Time permitting, the project may also involve examining theories relevant to understanding how such molecules, provided they do contain Cooper pairs, can form bulk superconductors2,3,4.<\/p>\n
\u00a0\u00a0 \u201cThe GAMESS Generalized Atomic and Molecular Electronic Structure System\u201d M.W.Schmidt, K.K.Baldridge, J.A.Boatz, S.T.Elbert, M.S.Gordon, J.H.Jensen, S.Koseki, N.Matsunaga, K.A.Nguyen, S.J.Su, T.L.Windus, M.Dupuis, J.A.Montgomery\u00a0\u00a0 J.Comput.Chem.\u00a0 14, 1347-1363 (1993)<\/p>\n
2 \u201cEffect Of Quasi-Particle Tunneling On Quantum-Phase Fluctuations And The Onset Of Superconductivity In Antigranulocytes Films\u201d Chakravarty S, Kivelson S, Zimanyi GT, Halperin BI Physical Review B-Condensed Matter 35 7256-7259 (1987)\u00a0\u00a0<\/p>\n
3 \u201cQuantum Critical Phenomena In Charged Superconductors\u201d Fisher MPA, Grinstein G\u00a0 Physical Review Letters 60 208-211 (1988)<\/p>\n
4 \u201cContinuous quantum phase transitions\u201d Sondhi SL, Girvin SM, Carini JP, Shahar D Reviews Of Modern Physics 69 315-333 (1997)<\/p>\n","protected":false},"excerpt":{"rendered":"
Kevin Mantey with Rolfe PetschekProperties Of Molecules That May Be Ultra High Temperature Superconductors<\/p>\n
It has been recently discovered that certain molecules based on nickel dithiolenes may contain Cooper pairs so that appropriate assemblies thereof may form high temperature superconductors.\u00a0 As the excitation energies in these molecules are about 0.1 eV, corresponding to thousands of Kelvin, superconductivity might persist to very high temperatures.\u00a0 In this project, quantum-chemistry programs, particularly the GAMESS Generalize Atomic and Molecular Electronic Structure System1, will be used to calculate the ground state properties of various nickel dithiolenes.\u00a0Although 0.1 eV is large on the thermal scale it is very small on the energy scales of electronic excitations.\u00a0<\/p>\n