论文信息 - Application of linear response theory in a coupled cluster framework for the calculation of ionization potentials - 字舞流文

Application of linear response theory in a coupled cluster framework for the calculation of ionization potentials

A previous application [1] of linear response theory to the direct calculation of transition energies is extended to the direct calculation of ionization potentials.

Debashis Mukherjee | Somnath Ghosh | Somnath Ghosh | D. Mukherjee | Subirnath Bhattacharyya | S. Bhattacharyya

[1] Debashis Mukherjee,et al. A response-function approach to the direct calculation of the transition-energy in a multiple-cluster expansion formalism , 1979 .

[2] D. Mukherjee,et al. Application of linear response function theory in a coupled-cluster framework , 1980 .

[3] J. Cizek. On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell-Type Expansion Using Quantum-Field Theoretical Methods , 1966 .

[4] Barry T. Pickup,et al. Quantum theory of molecular electronic structure , 1980 .

[5] J. G. F. Francis,et al. The QR Transformation A Unitary Analogue to the LR Transformation - Part 1 , 1961, Comput. J..