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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.
Charge carrier density, also known as carrier concentration, denotes the number of charge carriers per volume. In SI units, it is measured in m −3. As with any density, in principle it can depend on position. However, usually carrier concentration is given as a single number, and represents the average carrier density over the whole material.
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?
Solving the equations in Wertheim's theory can be complicated, but simplifications can make their implementation less daunting. Briefly, a few extra steps are needed to compute given density and temperature. For example, when the number of hydrogen bonding donors is equal to the number of acceptors, the ESD equation becomes:
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.
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.
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]
where P is the pressure of the gas, V is the volume of the gas, and k is a constant for a particular temperature and amount of gas.. Boyle's law states that when the temperature of a given mass of confined gas is constant, the product of its pressure and volume is also constant.
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