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Discrete Variable Representation


A discrete variable representation (DVR) expresses a finite-dimensional vector space of functions in a vector basis associated with a set of nodes. It converts between expansion coefficients and weighted values at the nodes, allowing multiplication by a function to be approximated by a diagonal matrix (Light et al. 1985).

One construction uses an n-point Gaussian quadrature rule for a positive weighting function W(x) on an interval (a,b). Let x_i be its nodes, lambda_i its Christoffel numbers, and p_0, p_1, ..., p_(n-1) the orthogonal polynomials with real coefficients, normalized in the weighted inner product. The matrix with elements

 T_(ij)=sqrt(lambda_i)p_(j-1)(x_i)
(1)

for i,j=1, 2, ..., n satisfies

 T^TT=I,
(2)

where I is the identity matrix and T denotes the transpose. This follows because Gaussian quadrature integrates each product p_jp_k, of polynomial degree at most 2n-2, exactly. Thus T is an orthogonal matrix.

The transformed orthonormal basis consists of

 f_i(x)=sum_(j=1)^nT_(ij)p_(j-1)(x)=(l_i(x))/(sqrt(lambda_i)),
(3)

where l_i are the fundamental Lagrange interpolating polynomials for the nodes. They satisfy

 f_i(x_j)=(delta_(ij))/(sqrt(lambda_i)),
(4)

where delta_(ij) is the Kronecker delta. Consequently, if u(x)=sum_(j=1)^(n)c_jp_(j-1)(x), its transformed expansion coefficients are d_i=sqrt(lambda_i)u(x_i).

For multiplication by a function V(x), the quadrature gives

 int_a^bW(x)f_i(x)V(x)f_j(x)dx=V(x_i)delta_(ij).
(5)

This diagonal matrix is exact whenever the integrands fall within the quadrature's exactness class. For a general V, it is a quadrature approximation to the exact matrix of multiplication on the trial subspace. The Lagrange-mesh method uses this representation in approximating differential operators.


See also

Expansion Coefficient, Gaussian Quadrature, Lagrange Interpolating Polynomial, Lagrange-Mesh Method, Orthogonal Polynomials

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References

Baye, D. "The Lagrange-Mesh Method." Phys. Rep. 565, 1-107, 2015. https://doi.org/10.1016/j.physrep.2014.11.006.Light, J. C. and Carrington, T. Jr. "Discrete-Variable Representations and Their Utilization." Adv. Chem. Phys. 114, 263-310, 2000. https://doi.org/10.1002/9780470141731.ch4.Light, J. C.; Hamilton, I. P.; and Lill, J. V. "Generalized Discrete Variable Approximation in Quantum Mechanics." J. Chem. Phys. 82, 1400-1409, 1985. https://doi.org/10.1063/1.448462.Trott, M. "Ground-State of the Quartic Oscillator." §2.10 in The Mathematica GuideBook for Symbolics. New York: Springer-Verlag, 2006. https://doi.org/10.1007/0-387-28815-5. https://www.mathematicaguidebooks.org/.

Cite this as:

Weisstein, Eric W. "Discrete Variable Representation." From MathWorld--A Wolfram Resource. https://mathworld.wolfram.com/DiscreteVariableRepresentation.html

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