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A basis set in theoretical and computational chemistry is a set of functions (called basis functions) that is used to represent the electronic wave function in the Hartree–Fock method or density-functional theory in order to turn the partial differential equations of the model into algebraic equations suitable for efficient implementation on a computer.
The use of basis sets is equivalent to the use of an approximate resolution of the identity. The single-particle states (molecular orbitals) are then expressed as linear combinations of the basis functions.
The basis set can either be composed of...
Werner Karl Heisenberg (German: [ˈhaɪzənbɛɐ̯k]; 5 December 1901 – 1 February 1976) was a German theoretical physicist and one of the key pioneers of quantum mechanics. He published his work in 1925 in a breakthrough paper. In the subsequent series of papers with Max Born and Pascual Jordan, during the same year, this matrix formulation of quantum mechanics was substantially elaborated. In 1927 he published his uncertainty principle, upon which he built his philosophy and for which he is best known. Heisenberg was awarded the Nobel Prize in Physics for 1932 "for the creation of quantum mechanics...
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does black color affected with UV radiation and the white color doesn't
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Why do colligative properties only depend on the number of particles and not the size?
My argument being that since the root cause of these properties is the occurrence of solute particles on the surface, reducing the vapour pressure of the solvent, shouldn't bigger molecules such as urea, give ...
In a recent exam, I came across this question.
A dry air is passed through the solution,
containing the 10 g of solute and 90 g of
water and then it pass through pure water.
There is the depression in weight of
solution it by 2.5 g and in weight of pure
solvent by 0.05 g. Calculate ...
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Transcript for
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The Periodic Table
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