Peter R. Surjan
portes grátis
Peter R. Surjan
A Festschrift from Theoretical Chemistry Accounts
Kallay, Mihaly; Szalay, Peter G.; Szabados, Agnes
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
05/2018
266
Mole
Inglês
9783662570371
15 a 20 dias
Descrição não disponível.
From the content: Preface.- Local random phase approximation with projected oscillator orbitals.- Orthogonality-constrained Hartree-Fock and perturbation theory for high-spin open-shell excited states.- On the non-integer number of particles in molecular system domains: treatment and description.-Spin contamination and noncollinearity in general complex Hartree-Fock wave functions.-Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom.-Use of graphics processing units for efficient evaluation of derivatives of exchange integrals by means of Fourier transformation.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
From the content: Preface.- Local random phase approximation with projected oscillator orbitals.- Orthogonality-constrained Hartree-Fock and perturbation theory for high-spin open-shell excited states.- On the non-integer number of particles in molecular system domains: treatment and description.-Spin contamination and noncollinearity in general complex Hartree-Fock wave functions.-Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom.-Use of graphics processing units for efficient evaluation of derivatives of exchange integrals by means of Fourier transformation.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
