The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method can be interpreted in terms of a coupling of zero-point energies of characteristic modes of semilocal exchange-correlation (xc) holes. These xc holes reflect the internal functional in the framework of the vdW-DF method. We explore the internal xc hole components, showing that they share properties with those of the generalized-gradient approximation. We use these results to illustrate the nonlocality in the vdW-DF description and analyze the vdW-DF formulation of nonlocal correlation
We put forward an approach for the development of a nonlocal density functional by a direct modeling...
We put forward an approach for the development of a nonlocal density functional by a direct modeling...
We put forward an approach for the development of a nonlocal density functional by a direct modeling...
The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method can be inter...
The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method can be inter...
The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method can be inter...
The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method can be inter...
van der Waals interactions are a phenomenon where charge fluctuations in one part of a system correl...
van der Waals interactions are a phenomenon where charge fluctuations in one part of a system correl...
In Density Functional Theory, the widely used local and semilocal approximations to the exchange-cor...
In Density Functional Theory, the widely used local and semilocal approximations to the exchange-cor...
Short-range correlations in motion of electrons in matter are captured well by semilocal exchange–co...
We derive the exchange-correlation potential corresponding to the nonlocal van der Waals density fun...
Short-range correlations in motion of electrons in matter are captured well by semilocal exchange–co...
In Density Functional Theory, the widely used local and semilocal approximations to the exchange-cor...
We put forward an approach for the development of a nonlocal density functional by a direct modeling...
We put forward an approach for the development of a nonlocal density functional by a direct modeling...
We put forward an approach for the development of a nonlocal density functional by a direct modeling...
The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method can be inter...
The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method can be inter...
The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method can be inter...
The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method can be inter...
van der Waals interactions are a phenomenon where charge fluctuations in one part of a system correl...
van der Waals interactions are a phenomenon where charge fluctuations in one part of a system correl...
In Density Functional Theory, the widely used local and semilocal approximations to the exchange-cor...
In Density Functional Theory, the widely used local and semilocal approximations to the exchange-cor...
Short-range correlations in motion of electrons in matter are captured well by semilocal exchange–co...
We derive the exchange-correlation potential corresponding to the nonlocal van der Waals density fun...
Short-range correlations in motion of electrons in matter are captured well by semilocal exchange–co...
In Density Functional Theory, the widely used local and semilocal approximations to the exchange-cor...
We put forward an approach for the development of a nonlocal density functional by a direct modeling...
We put forward an approach for the development of a nonlocal density functional by a direct modeling...
We put forward an approach for the development of a nonlocal density functional by a direct modeling...