TY - JOUR
KW - Bethe-Salpeter equation
KW - density functional theory
KW - many-body problems
AU - Davide Sangalli
AU - P. Romaniello
AU - G Onida
AU - Andrea Marini
AB - A coherent approach to the description of double excitations in correlated materials is presented: We derive stringent mathematical conditions on the algebraical structure of the Bethe\textendashSalpeter and time-dependent density functional theory kernels that avoid the occurrence of spurious and nonphysical excitations. We discuss how these conditions need to be respected at any level of approximation, including the commonly used local density and static screening approximations. We propose a correlated kernel for the Bethe\textendashSalpeter equation, and we illustrate several aspects of our approach with numerical calculations for model molecular systems.
BT - J. Chem. Phys.
DO - 10.1063/1.3518705
N2 - A coherent approach to the description of double excitations in correlated materials is presented: We derive stringent mathematical conditions on the algebraical structure of the Bethe\textendashSalpeter and time-dependent density functional theory kernels that avoid the occurrence of spurious and nonphysical excitations. We discuss how these conditions need to be respected at any level of approximation, including the commonly used local density and static screening approximations. We propose a correlated kernel for the Bethe\textendashSalpeter equation, and we illustrate several aspects of our approach with numerical calculations for model molecular systems.
PY - 2011
T2 - J. Chem. Phys.
TI - Double excitations in correlated systems: A many\textendashbody approach
UR - http://jcp.aip.org/resource/1/jcpsa6/v134/i3/p034115_s1
VL - 134, 034115
ER -