Conjugated Conducting PolymersHelmut G. Kiess, Dionys Baeriswyl |
From inside the book
Results 1-3 of 44
Page 21
... configuration { R } , which is close to the actual configuration , and expands in powers of the ( assumed small ) displacements , u1 = R1– Ro . If the ( small ) variations in the Wannier functions and in Veff ( r - r ' ) are neglected ...
... configuration { R } , which is close to the actual configuration , and expands in powers of the ( assumed small ) displacements , u1 = R1– Ro . If the ( small ) variations in the Wannier functions and in Veff ( r - r ' ) are neglected ...
Page 63
... configurations ; simple counting shows that there are ( ZN ) 2N Ν possible Slater determinants of HF orbitals , each determinant corresponding to an allowed electron configuration . As noted previously , this is precisely the number of ...
... configurations ; simple counting shows that there are ( ZN ) 2N Ν possible Slater determinants of HF orbitals , each determinant corresponding to an allowed electron configuration . As noted previously , this is precisely the number of ...
Page 75
... configurations with small diagonal elements have a large weight in the ground state . Thus , for the CDW case the Hubbard U certainly favours the symmetric configuration rather than either extreme , since it always suppresses double ...
... configurations with small diagonal elements have a large weight in the ground state . Thus , for the CDW case the Hubbard U certainly favours the symmetric configuration rather than either extreme , since it always suppresses double ...
Other editions - View all
Common terms and phrases
A.J. Heeger atoms Baeriswyl band gap behaviour bipolarons bond alternation bond lengths calculations chain charge carriers charged solitons Chem chemical shift cis-(CH conducting polymers conjugated polymers correlation Coulomb interaction coupling Cryst D.K. Campbell defects dielectric function diffusion dimerization discussed dopant dopant concentration dopant molecules doping doping levels e-e interactions effects electron correlation electron spin electron-electron interactions electron-phonon ENDOR energy excitations exciton experimental frequency function Hamiltonian Hartree-Fock hopping Hubbard model Hückel hyperfine interactions inter-chain Kivelson lattice Lett linewidth magnetic metallic molecular neutral solitons nonlinear nonlinear optical nuclear observed obtained one-dimensional optical absorption optical gap parameters peak Peierls Peierls-Hubbard model phonon Phys polarons polyacetylene polyenes polypyrrole polythiophene properties proton quantum quasi-particles Raman resonance samples Sect shown in Fig spectra spectrum spin density structure symmetry Synth tensor theory trans trans-(CH trans-polyacetylene transition valence values Vardeny