Density functional methods and semi-empirical methods are variants on the major theme.

Density functional theory ( DFT ) methods are often considered to be ab initio methods for determining the molecular electronic structure, even though many of the most common functionals use parameters derived from empirical data, or from more complex calculations.

C < sub > 60 </ sub > with isosurface of ground state electron density as calculated with Density functional theory | DFT

* Density functional theory

Density functional theory ( DFT ) is a quantum mechanical modelling method used in physics and chemistry to investigate the electronic structure ( principally the ground state ) of many-body systems, in particular atoms, molecules, and the condensed phases.

* Density functional theory

* Density functional theory

* Amsterdam Density Functional, a computer program for performing density functional theory electronic structure calculations

Density functional theory simulations predict that depositing certain adatoms on graphene can render it piezoelectrically responsive to an electric field applied in the vertical ( i. e. out-of-plane ) direction.

# REDIRECT Density functional theory

* Density functional theory

* Point defects in transition metals: Density functional theory calculations have been performed to study the systematic trends of point defect behaviours in bee transition metals.

Recently the DNA fluorescent probe, Thiazole Orange ( TO ) has been effectively modeled, using the Density Functional Theory ( DFT ) with the M06-2X functional coupled with the Polarisable Continuum model ( PCM ).

Category: Density functional theory

Category: Density functional theory

Category: Density functional theory

Amsterdam Density Functional ( ADF ) is a program for first-principles electronic structure calculations that makes use of density functional theory ( DFT ).

* Density functional theory: quadrature, new functionals and molecular properties.

Category: Density functional theory

Category: Density functional theory

Nelson shows the occasional glimpse of humanity, though, and other characters have occasionally warmed to him ; Lisa dates him briefly in " Lisa's Date With Density ", Marge informally adopts him in " Sleeping with the Enemy ," and Bart is shown as a friend to him several times, such as in " The Haw-Hawed Couple.

The plans have been opposed vehemently by many townspeople, most notably the Kings Park Coalition Against High Density Housing, and has become an important political issue in many local political campaigns.

A book, ' The Fundamentals of Density Functional Theory ' written by H. Eschrig, contains detailed mathematical discussions on the DFT ; there is a difficulty for N-particle system with infinite volume ; however, we have no mathematical problems in finite periodic system ( torus ).

Density tools also have an extendable caliper arm, which is used to measure the true width of the borehole.

; Density independent dispersal: Organisms have evolved adaptations for dispersal that take advantage of various forms of kinetic energy occurring naturally in the environment.

# Density matrices are specified to have trace 1, so Φ has to preserve the trace.

Sorting by Size and Density: Most fine coffee goes through a battery of machines that sort the coffee by density of bean and by bean size, all the while removing sticks, rocks, nails, and miscellaneous debris that may have become mixed with the coffee during drying.

Lisa has been friendly with several boys, including Ralph Wiggum in " I Love Lisa " ( season 4, 1993 ), Nelson Muntz in " Lisa's Date with Density " ( season 8, 1996 ) and Colin in The Simpsons Movie ( 2007 ).

In 2007 Vagrant formed another imprint label, Density Records, which will release heavier material than has traditionally been released on the label.

For these reasons, the keraunic number has been replaced by more accurate Flash Density maps, which collect data from both ground-based and satellite lightning detectors.

Calhoun published the results as " Population Density and Social Pathology " in a 1962 edition of Scientific American.

Equivalent Circulating Density ( when forward circulating ) is defined as the apparent fluid density which results from adding annular friction to the actual fluid density in the well.

These may be heuristics-based such as the Extended Kalman Filter or the Assumed Density Filters described in Peter S. Maybeck's book or more methodologically driven such as the projection filters introduced by Damiano Brigo, Bernard Hanzon and François Le Gland, some sub-families of which are shown to coincide with the Assumed Density Filters.

Density of a sum of three variables.

Density of a mixture of three normal distributions ( μ = 5, 10, 15, σ = 2 ) with equal weights.

Density Separations may be created by printing three prints of the same picture, each at a different exposure time that will be combined for the final image.

Density, Bulk Density, or Wet Density,, are different names for the density of the mixture, i. e., the total mass of air, water, solids divided by the total volume of air water and solids ( the mass of air is assumed to be zero for practical purposes ):

Density logging tools contain a Caesium-137 gamma ray source which irradiates the formation with 662 keV gamma rays.

Density of ice increases slightly with decreasing temperature and has a value of 0. 9340 g / cm³ at − 180 ° C ( 93 K ).

By 1978 Parr had realized that Density Functional Theory ( DFT ) would be extremely useful in quantitative calculations of chemical and biological systems, especially those with high molecular weights.

" Lisa's Date with Density " ( season eighth, 1996 ) was the first episode to center around Nelson and was used to explain why he acts the way he does.

Density and pressure decrease smoothly with altitude, but temperature ( red ) does not.

Above the viewfinder is a filter bar used to slide a green or an orange filter in front of the lens ; starting with the BL, there is only a Neutral Density filter.

Density ( normalized to average density ) versus radius ( normalized to external radius ) for a polytrope with index n = 3.

It's Density is 770 kg / m³ and with color golden to dark brown.

Density of eastern towhees was found to decline with distance from the edge of a power line right-of-way and an oak-hickory forest in eastern Tennessee.

In August 1989, Apple introduced the Macintosh SE FDHD with the new SuperDrive, a floppy disk drive that could handle 1. 4 MB High Density ( HD ) floppy disks.

Originally marketed as FDHD ( Floppy Disk High Density "), later some Macintosh SE FDHDs were labeled Macintosh SE Superdrive, to conform to Apple's marketing change with respect to their new drive.

On the below half, rendered with Density Estimation, the noise is smoothed out without destroying the sharp edges.

And here, in the last two notes of Density 21. 5 we at last find B paired with its tritone associate.

Compatible with DOS 2. 0-Allowed the use of Double Density floppies.

His works, published in Proceedings of the London Mathematical Society, were " Density integration " ( 53, 1951 ); " On the measure of sum sets ( I ) The theorems of Brunn, Minkowski, and Lusternik, ( with A. M. McBeath )" ( 3, 1953 ); " Linear functions with domain a real countably infinite dimensional space " ( 5, 1955 ); " Linear and bilinear functions with domain contained in a real countably infinite dimensional space " ( 6, 1956 ); " The use of convergence factors in Ward integration " ( 10, 1960 ); " The equivalence of generalized forms of the Ward, variational, Denjoy-Stieltjes, and Perron-Stieltjes integrals " ( 10, 1960 ); " N-variation and N-variational integrals of set functions " ( 11, 1961 ); " Definitions of Riemann type of the variational integrals " ( 11, 1961 ); " Difference-sets and the Banach – Steinhaus theorem " ( 13, 1963 ); " Generalized integrals of vector-valued functions ( 19 1969 )