Options - Basin Properties

This dialog allows you to select properties for the basin integration process. Initially all properties are selected. For each property you find a checkbox.
Use the "Check All" and/or "Uncheck All" buttons to select all/unselect all properties. "OK " makes your selection valid, "Cancel" returns to previous selection.
For an exact definition of the listed properties certify the AIM2000 user's guide.

Note that the first six density functions cannot be unselected.

Remark: do not expect a large gain in calculation speed by unchecking many properties.

Currently available properties for basin integration:

   RHO electron density
L Laplacian of Rho
KEG Lagrangian kinetic energy density
KEK    Hamiltonian kinetic energy density
VIR Virial Field Function
EOA Energy of atom
I Missing Information Function
R(-1) Average value of Rho/r
R1 Average value of Rho*r
R2 Average value of Rho*(r^2)
R4 Average value of Rho*(r^4)
GR(-1) Average value of Grad(Rho)*(Vector R)/r
GR0 Average value of Grad(Rho)*(Vector R)
GR1 Average value of Grad(Rho)*(Vector R)*r
GR2 Average value of Grad(Rho)*(Vector R)*(r^2)
ELX Electric Dipole (x)
ELY Electric Dipole (y)
ELZ Electric Dipole (z)
VNEO Attraction of density A by nucleus A
VNEOC Attraction of density A by nucleus A (corr.)
VNET Attraction of density A by all nuclei
VNETC Attraction of density A by all nuclei (corr.)
EHF Hartree-Fock Energy
VREPC Potential energy of repulsion (corr.)
VTOT Total potential energy of atom
QXX Atomic Quadruple Moment Tensor (xx)
QXY Atomic Quadruple Moment Tensor (xy)
QXZ Atomic Quadruple Moment Tensor (xz)
QYY Atomic Quadruple Moment Tensor (yy)
QYZ Atomic Quadruple Moment Tensor (yz)
QZZ Atomic Quadruple Moment Tensor (zz)
FAXA Force exerted on nucleus A by density of A (x)
FAYA Force exerted on nucleus A by density of A (y)
FAZA Force exerted on nucleus A by density of A (z)
FBXA Force exerted on all nuclei by density of A (x)
FBYA Force exerted on all nuclei by density of A (y)
FBZA Force exerted on all nuclei by density of A (z)
RHO*L Rho * Laplacian
VOL1 Total integrated volume (0.001 au isosurface)
VOL2 Total integrated volume (0.002 au isosurface )
NVOL1 Electron density over integrated volume (0.001 au isosurface)
NVOL2 Electron density over integrated volume (0.002 au isosurface)
VIRBAS Basin Virial
VIRSURF Surface Virial
ERFX Ehrenfest force (x)
ERFY Ehrenfest force (y)
ERFZ Ehrenfest force (z)
OVERLAP Atomic Overlap Matrix (0.5*n*(n+1) properties, where n is the no. of molecular orbitals)