Search results
Results from the WOW.Com Content Network
The Density Functional Based Tight Binding method is an approximation to density functional theory, which reduces the Kohn-Sham equations to a form of tight binding related to the Harris functional. The original [ 1 ] approximation limits interactions to a non-self-consistent two center hamiltonian between confined atomic states.
Density is an intensive property in that increasing the amount of a substance does not increase its density; rather it increases its mass. Other conceptually comparable quantities or ratios include specific density, relative density (specific gravity), and specific weight.
Protein folding problem: Is it possible to predict the secondary, tertiary and quaternary structure of a polypeptide sequence based solely on the sequence and environmental information? Inverse protein-folding problem: Is it possible to design a polypeptide sequence which will adopt a given structure under certain environmental conditions?
Thomas Graham. Graham's law of effusion (also called Graham's law of diffusion) was formulated by Scottish physical chemist Thomas Graham in 1848. [1] Graham found experimentally that the rate of effusion of a gas is inversely proportional to the square root of the molar mass of its particles. [1]
In condensed matter physics and inorganic chemistry, the cation-anion radius ratio can be used to predict the crystal structure of an ionic compound based on the relative size of its atoms. It is defined as the ratio of the ionic radius of the positively charged cation to the ionic radius of the negatively charged anion in a cation-anion compound.
Nuclear density is the density of the nucleus of an atom. For heavy nuclei, it is close to the nuclear saturation density n 0 = 0.15 ± 0.01 {\displaystyle n_{0}=0.15\pm 0.01} nucleons / fm 3 , which minimizes the energy density of an infinite nuclear matter . [ 1 ]
Relative density can be calculated directly by measuring the density of a sample and dividing it by the (known) density of the reference substance. The density of the sample is simply its mass divided by its volume. Although mass is easy to measure, the volume of an irregularly shaped sample can be more difficult to ascertain.
Consider a long, thin rod of mass and length .To calculate the average linear mass density, ¯, of this one dimensional object, we can simply divide the total mass, , by the total length, : ¯ = If we describe the rod as having a varying mass (one that varies as a function of position along the length of the rod, ), we can write: = Each infinitesimal unit of mass, , is equal to the product of ...