The complex-Hamiltonian approach

作者: A N Andriotis

DOI: 10.1088/0953-8984/4/48/002

关键词:

摘要: It is pointed out that when a complex-Hamiltonian technique employed for solving Schrodinger's equation either in solids or atoms, the location of resonances cannot be accurately determined by specifying real energies at which imaginary part corresponding Green's function exhibits resonance peaks. Instead spanning energy axis to locate peaks electron DOS, it more accurate solve complex Hamiltonian entire plane. In particular, demonstrated locations an embedded atom are obtained direct diagonalization plane do not coincide general with DOS from approach.

参考文章(10)
G A Baraff, M Schluter, The LCAO approach to the embedding problem Journal of Physics C: Solid State Physics. ,vol. 19, pp. 4383- 4391 ,(1986) , 10.1088/0022-3719/19/22/023
A N Andriotis, A non-local Hartree-Fock approach to embedding Journal of Physics: Condensed Matter. ,vol. 2, pp. 1021- 1025 ,(1990) , 10.1088/0953-8984/2/4/021
P. Nordlander, N. D. Lang, Energy shifts and broadening of atomic electron levels near impurity-covered metal surfaces. Physical Review B. ,vol. 44, pp. 13681- 13688 ,(1991) , 10.1103/PHYSREVB.44.13681
Kent F. Milfeld, Nimrod Moiseyev, Complex resonance eigenvalues by the lanczos recursion method Chemical Physics Letters. ,vol. 130, pp. 145- 151 ,(1986) , 10.1016/0009-2614(86)80442-0
A. N Andriotis, Impurity Atoms/Ions Embedded in Metals EPL. ,vol. 17, pp. 349- 354 ,(1992) , 10.1209/0295-5075/17/4/012
Roland E. Allen, Madhu Menon, Subspace Hamiltonian technique. Physical Review B. ,vol. 33, pp. 5611- 5616 ,(1986) , 10.1103/PHYSREVB.33.5611
J E Inglesfield, A method of embedding Journal of Physics C: Solid State Physics. ,vol. 14, pp. 3795- 3806 ,(1981) , 10.1088/0022-3719/14/26/015
P. Nordlander, J. C. Tully, Energy shifts and broadening of atomic levels near metal surfaces Physical Review B. ,vol. 42, pp. 5564- 5578 ,(1990) , 10.1103/PHYSREVB.42.5564
A. N. Andriotis, C. A. Nicolaides, Dressed-atom approach to embedding and physisorption in metals. Physical Review B. ,vol. 35, pp. 2583- 2591 ,(1987) , 10.1103/PHYSREVB.35.2583
O. Atabek, R. Lefebvre, A. Requena, The wavefunction of the complex coordinate method Molecular Physics. ,vol. 40, pp. 1107- 1115 ,(1980) , 10.1080/00268978000102161