Potential functionals: dual to density functionals and solution to the v-representability problem

Weitao Yang1, Paul W Ayers, Qin Wu

  • 1Department of Chemistry, Duke University, Durham, North Carolina 27708, USA.

Related Concept Videos

Volume of Distribution01:20

Volume of Distribution

The apparent volume of distribution (Vd) is a crucial pharmacokinetic parameter representing the hypothetical body fluid volume into which a drug disperses. It is calculated based on the total amount of drug in the body (estimated from the administered dose and bioavailability) divided by the plasma drug concentration. The total amount of drug in the body does not directly refer to the dose given but is derived by accounting for absorption, distribution, metabolism, and excretion processes.
Applications of Integration to Probability Density Functions01:27

Applications of Integration to Probability Density Functions

Continuous probability distributions are used to model random variables that can take on any real value within a specified range. These variables do not take on isolated or countable values but rather exist on a continuum. For example, the height of an individual can be measured with increasing precision—such as 163.5 or 165.25 centimeters—demonstrating that height is a continuous random variable.The behavior of such variables is described using a probability density function (PDF), which...
Functions of Three or More Variables01:31

Functions of Three or More Variables

A function of three variables assigns a single real number to each point in three-dimensional space. Every point is identified by its Cartesian coordinates, x, y, and z, and the function maps this ordered triple to a scalar value. Such functions are commonly used to describe physical quantities that vary throughout space.A representative example is the electric potential generated by a point charge. In this case, the potential at a given location depends only on the distance from the charge. If...
Functions of Two Variables01:21

Functions of Two Variables

Functions of two variables extend the concept of single-variable functions by allowing an output to depend on two independent inputs. In single-variable calculus, one input corresponds to one output, producing a curve on a two-dimensional graph. In contrast, functions of two variables describe systems in which multiple factors influence the outcome simultaneously. Such functions are commonly written in the form z = f(x,y), where each ordered pair in the domain corresponds to a unique output...
State Function, Exact and Inexact Differentials01:27

State Function, Exact and Inexact Differentials

A state function is a thermodynamic property that depends solely on the current state of a system, irrespective of its history or how it arrived at that state. These functions are represented by capital letters, such as U, H, and S, which stand for internal energy, enthalpy, and entropy, respectively.For instance, the value of internal energy depends on the system's state variables and remains unaffected by the process path. This means that whether the system underwent a linear process or a...
Density00:56

Density

Density is an important characteristic of substances, crucial in determining whether an object sinks or floats in a fluid. Its SI unit is kg/m3, and its cgs unit is g/cm3. The density of an object helps in identifying its composition, and also reveals information about the phase of the matter and its substructure. The densities of liquids and solids are roughly comparable, consistent with the fact that their atoms are in close contact. However, gases have much lower densities than liquids and...