We have adopted the pseudopotential and its construction procedures developed by Hamann to obtain the pseudopotentials of the noble gases as the first step in a series of efforts to enhance the power of gaseous lasers. The advantages of using pseudopotential are (1) the fast-reached convergence of electron wavefunctions and the drastically-reduced dimensions (matrix elements) of the Hamiltonian. (2) the built-in transferability which allows one to apply it to a single atom, a molecule, in an atomic or molecular system, in solids, and on a solid surface. (3) the inclusion of relativistic effects due to significant spin-orbital interaction which permits its application to all elements throughout the entire periodic table. The results are ex...
In the preceding paper, we presented an analytic reformulation of the Phillips-Kleinman (PK) pseudop...
International audienceA pseudo-potential system for an sp 2 carbon atom is built and tested as a bui...
Even with modern computers, it is still not possible to solve the Schrodinger equation exactly for s...
We have adopted the pseudopotential and its construction procedures developed by Hamann to obtain th...
We have adopted the pseudopotential and its construction procedures developed by Hamann to obtain th...
Através do uso de pseudopotenciais e possível simplificarmos o calculo de estrutura eletrônica de át...
Através do uso de pseudopotenciais e possível simplificarmos o calculo de estrutura eletrônica de át...
Através do uso de pseudopotenciais e possível simplificarmos o calculo de estrutura eletrônica de át...
We propose a pseudopotential for the electron-electron Coulomb interaction to improve the efficiency...
Text includes handwritten formulasDevelopments in the theory of electron scattering from molecules a...
Transferability of norm-conserving pseudopotentials to low-energy electron-molecule scattering proce...
Author Institution: Stuttgart Pfaffenwaldring, 70569 Stuttgart, Germany.Pseudopotential methods have...
A method for calculating the laser-assisted, electron-potential scattering differential cross sectio...
International audienceA pseudo-potential system for an sp 2 carbon atom is built and tested as a bui...
International audienceA pseudo-potential system for an sp 2 carbon atom is built and tested as a bui...
In the preceding paper, we presented an analytic reformulation of the Phillips-Kleinman (PK) pseudop...
International audienceA pseudo-potential system for an sp 2 carbon atom is built and tested as a bui...
Even with modern computers, it is still not possible to solve the Schrodinger equation exactly for s...
We have adopted the pseudopotential and its construction procedures developed by Hamann to obtain th...
We have adopted the pseudopotential and its construction procedures developed by Hamann to obtain th...
Através do uso de pseudopotenciais e possível simplificarmos o calculo de estrutura eletrônica de át...
Através do uso de pseudopotenciais e possível simplificarmos o calculo de estrutura eletrônica de át...
Através do uso de pseudopotenciais e possível simplificarmos o calculo de estrutura eletrônica de át...
We propose a pseudopotential for the electron-electron Coulomb interaction to improve the efficiency...
Text includes handwritten formulasDevelopments in the theory of electron scattering from molecules a...
Transferability of norm-conserving pseudopotentials to low-energy electron-molecule scattering proce...
Author Institution: Stuttgart Pfaffenwaldring, 70569 Stuttgart, Germany.Pseudopotential methods have...
A method for calculating the laser-assisted, electron-potential scattering differential cross sectio...
International audienceA pseudo-potential system for an sp 2 carbon atom is built and tested as a bui...
International audienceA pseudo-potential system for an sp 2 carbon atom is built and tested as a bui...
In the preceding paper, we presented an analytic reformulation of the Phillips-Kleinman (PK) pseudop...
International audienceA pseudo-potential system for an sp 2 carbon atom is built and tested as a bui...
Even with modern computers, it is still not possible to solve the Schrodinger equation exactly for s...