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  2. Time-dependent density functional theory - Wikipedia

    en.wikipedia.org/wiki/Time-dependent_density...

    The RG theorem shows that, for a given initial wavefunction, there is a unique mapping between the time-dependent external potential of a system and its time-dependent density. This implies that the many-body wavefunction, depending upon 3 N variables, is equivalent to the density, which depends upon only 3, and that all properties of a system ...

  3. Density dependence - Wikipedia

    en.wikipedia.org/wiki/Density_dependence

    Density-dependent fecundity. Density-dependent fecundity exists, where the birth rate falls as competition increases. In the context of gastrointestinal nematodes, the weight of female Ascaris lumbricoides and its rates of egg production decrease as host infection intensity increases. Thus, the per-capita contribution of each worm to ...

  4. Density - Wikipedia

    en.wikipedia.org/wiki/Density

    To simplify comparisons of density across different systems of units, it is sometimes replaced by the dimensionless quantity "relative density" or "specific gravity", i.e. the ratio of the density of the material to that of a standard material, usually water. Thus a relative density less than one relative to water means that the substance ...

  5. List of dimensionless quantities - Wikipedia

    en.wikipedia.org/wiki/List_of_dimensionless...

    chemistry (Proportion of "active" molecules or atoms) Arrhenius number = Svante Arrhenius: chemistry (ratio of activation energy to thermal energy) [1] Atomic weight: M: chemistry (mass of one atom divided by the atomic mass constant, 1 Da) Bodenstein number: Bo or Bd

  6. Density functional theory - Wikipedia

    en.wikipedia.org/wiki/Density_functional_theory

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

  7. Dependent and independent variables - Wikipedia

    en.wikipedia.org/wiki/Dependent_and_independent...

    [6] [7] It is possible to have multiple independent variables or multiple dependent variables. For instance, in multivariable calculus, one often encounters functions of the form z = f(x,y), where z is a dependent variable and x and y are independent variables. [8] Functions with multiple outputs are often referred to as vector-valued functions.

  8. Density matrix - Wikipedia

    en.wikipedia.org/wiki/Density_matrix

    In quantum mechanics, a density matrix (or density operator) is a matrix that describes an ensemble [1] of physical systems as quantum states (even if the ensemble contains only one system). It allows for the calculation of the probabilities of the outcomes of any measurements performed upon the systems of the ensemble using the Born rule .

  9. Spartan (chemistry software) - Wikipedia

    en.wikipedia.org/wiki/Spartan_(chemistry_software)

    Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] thermochemical recipes including G3(MP2) [6] and T1.