We introduce finite-differences derivatives intended to be exact, with a finite number of terms, for a particular function. For other functions, these finite differences are also an approximation to the actual derivativehen applied to the real exponential function. We want to recover the known results of continuous calculus with our finite differences derivatives. In this article we consider the first derivative on a partition. Our definitions are based on the requirements for the derivative such as that the exponential function is its eigefunction but in a discrete form. The purpose of this work is to have a discrete momentum operator suitable for use as an operator in discrete quantum mechanics theory.
FrThe subject om calculus of a single variable, tf finite differences is an old, but useful method with wide application in science and engineering. The story starts with Newton and Leibnitz themselves with the very definition of the derivative of a function; the limit when the differences become zero, as is well known. The formal definition of the derivative $f'(x)$
\[
f'(x)
:=\lThese ratim_{x\to x_0}
\fs are known ac{f(x)-f(x_0)}{x-x_0}.
\]
Hs backward and forwever, there are atard differences, respectively.
The leasimit two situations in of vanishing finite differences involves variables which we need to compute the derivative when are continuous. However, many times it is not possible to take the mentioned perform such limit $x\to x_0$. One at all. A situation islike that appears when doing numerical simulations in a computation. When doing numerical calculations,er due to the limit in how small a number can be represented in the computer. Another situation in which it is not possible to perform atake the infinitesimal difference limit likeis when the infinitesimal separation between the discrete set of podependent variable is a discrete variable by nature, as is the case found in Quantum Mechanics theory regarding the spectrum of quantum operators.
Finits of a mesh, and then an e differences are necessary in numerical computations to approximation to the several quantities like derivative is used.
Os and inther situation is in the theory of operators. there are operators with a discrete spectrum. The values of the spectrum of the operatorgrals of functions, as well as, differential and integral equations. Their use as a numerical tool is a well developed subject, see for instance the series of books areNumerical Recipes.[1] fixed Anumber and there is no meaning in taking a limit like $x\to x_0$. Thus, an exact interesting development is the use of a complex finite differences, a finite differences which will giv to evaluate the exactreal derivative even if of a function.[2]
On $\Dthelta$ has any finite value, is desirable.
Us other hand, the reader can learn about the calcual us of finite differences calculus, for equ from the classical works of Kopal[3], Booly spaced[4]. pJoirdants[5], Rin a meshchardson[6], for is well develnstance.
Anopthed[1][2][3][4],r Hebre we introducanch of the finite differences calculus which istree, is known as the exact for the first derivative. We specialize the resultsinite differences technique. That scheme was developed by researchers like Potts,[7][8] tRo finnald E. Mickens[9] witeh intervals, first order finthe purpose of obtaining exact finite differences and to the real exponrepresentations of continuous differential function, the real eigenfunctionequations and of their solutions.
Another use of the derivative.
Lfinite differences was developetd $\{q_{i}\}_{i=-N}^{N}$ be a partition of the real interval $[-by Armando Martínez-Pérez and Gabino Torres-Vega,a]$,[10] withat is
\b the integin{align*}
a=q_{-N}tion <of q_{-N+1} < \dots < q_{N-1} < q_{N}=b.
\eobtaind{align*}
Theng diseparations between mesh points are
\begicrete operators for use in Quantum Mechanics theory. It is common{ thalign*}
\Delt a_j = q_{j+1}-q_{j}, \quad j = -N, \dots, N-1.
\end{ quantum operator has align*}
\[ (D_fg)_j=\frac{g_{j+1}-g_j}{\chdi_{f,j}},
\quad
\schi_{f,j}=\frac{e^{v\Delta_j}-1}{v}
=\Dete spelcta_j+\frac{v}{2}\Delta^2_j+{\cal O}(\Delta^3_j). \]
\brum and a degrin{align*}
(D_fe^{vativq})_j=v\,e^{vq_j},
\end{al wign*}
Wth ren $|\chi_{f,j}-\Delta_j|$ is less thanspect to the spectrum is necessary some small $\epsilon$, our method and the usual finite-differences derivative will give similar results for any vector defined on the mesh.
Atimes. The aim is to obtain discrete operators which comply with discrete versions of the properties that a bquackwards versntum operator must have.
The explicit fonrm of the exact finite differences derivative, at $q_j$, is
%
\[ depends on the (D_bg)_j=\frac{g_j-g_{j-1}}{\chi_{b,j}},
\quad
\nchti_{b,j}=\frac{1-e^{-v\Delta_{j-1}}}{v}
=\Delons thata_{j-1}-\frac{v}{2}\D welta^2_{j-1}
+{\cwal O}(\Delta^3_{j-1}), \]
%
which alsnt to complnsies wider. In th
%
\begin{s align*}
(D_brticle^{vq})_j=v\,e^{vq_j}.
\en we d{align*}
Somescuss properties of thehe use of an exact finite- differences derivative arwhen its e
{\igemnfunction is The equality\/}
%
$the real exponential \frac{\chi_{b,j+1}}{\chi_{f,j}}
=e^{-v\Deunction. This willta_j}
$ implrovies thade with a moment
%
\[um (D_fg)_j
=ope^{-v\Delrator ta_j}\,(D_bg)_{j+1}
.o be \]
{\usemd Twoin discrete versionsQuantum Mechanics.
Let of
The fseparatinite diffeons between mesh points arenc
These versions of $\int_a^xdy\,g'(y)=g(x)-g(a)$separations can or cannot be equal and are
%
\beg fin{align*}
&\sum_{j=-N}^n\Delta_j(D_fg)_j
%
&=
-\frac{\Delta_{-N}}{\c. Thi_{f,-N}}g_{-N}
+\e disum_{j=-N+1}^n\lcreft(
te \fvarac{\Delta_{j-1}}{\chi_{f,j-1}}
iable $q_j$ -\frac{\Delta_j}{\chi_{f,j}}\right)g_j
s +\frac{\Delta_n}{\chi_{f,n}}g_{n+1}
,
\hend{al ign*}
%
annd
%
\bepegin{align*}
&\Ddelta_{-N}(D_fg)_{-N}
+\sum_{j=-N+1}^n\Delta_{j-1}(D_bg)_j
%
&=
-\left(\f varac{1}{\chi_{f,-N}}
+\frac{1}{\chi_{b,-N+1}}\right)\Delta_{-N}g_{-N}
+\fle with rac{\Delta_{-N}}{\chi_{f,-N}}g_{-N+1}
+\sum_{j=-N+1}^{n-1}\lpeft(
ct to \frac{\Dwelta_{j-1}}{\chi_{b,j}}
-\fr will calc{\Delta_j}{\chi_{b,{j+1}}}\right)g_j
+\frac{\Dulatel ta_{n-1}}{\chi_{b,n}}g_n
%,
\hen d{align*}
%
wherivativere $n<N$. The summation teof a function.
Form at the given
wheen mesh points ire the denominators are defined as
the
same. For the w
Thole interval,discrete variable
%
\beg in{aligdepen*}
&
\sum_{j=-N}^{N-1}\Ddelnta_j(D_fg)_j
+\Deltva_{N-1}(D_bg)_N
\
%
&=
-\friac{\Delta_{-N}}{\chi_{f,-N}}g_{-N}
ble with +\resum_{j=-N+1}^{N-1}\left(
pect \frac{\Delta_{j-1}}{\chi_{f,j-1}}
o which we will -\frcac{\Delta_j}{\chi_{f,j}}\right)g_j
lculate the derivative -\ofrac{\Delta_{N-1}}{\chi_{b,N}}g_{N-1}+\left(\frac{1}
a function. {\cThi_{f,N-1}}
e +\frac{1}{\chi_{b,N}}\right)\Delta_{N-1}g_N
,
\unctions in the dend{alomign*}
%
\begin{nalign*}
&
\Delta_{-N}(D_ors ofg)_{-N}
+\ thesum_{j=-N+1}^N\Delta_{j-1}(D_bg)_j\
&=-\l eft(\fxprac{1}{\chi_{f,-N}}
essions, the +\frac{1}{\chi_{bunctions
e that \Dthelta_{-N}g_{-N}
+\f reac{\Delta_{-N}}{\chi_{f,-N}}g_{-N+1}
+\sum_{j=-N+1}^{N-1}\l exponentialeft(
\frac{\Delta_{j-1}}{\chi_{unction
-\frac{\Delta_j}{\chi_{b,j+1}}\right)g_j
+\frac{\Dexactlta_{N-1}}{\chi_{by,N}}g_N
,
\end{ align*}
{\em The eigenfunction of the summation.\/} The finite differences versions of $\int_a^xdx\,v\,e^{vx}=e^{va}-e^{vx}$ adiscrete derivative operation with re
%
\begin{al eign*}
\sum_{j=-N}^n\Deenvalta_jv\,e^{vq_j}
&=\sum_{j=-N}^n\Delta_j(D_f\
%
&=-\frawhic{\Delta_{-N}}{\chi_{f,-N}}e^{vq_{-N}}
+\h is the suam_{-N+1}^n\left(
e \fprac{\Delta_{j-1}}{\chi_{f,j-1}}
operty as the continuous -\fvarac{\Delta_j}{\chi_{f,j}}\right)e^{vq_j}
+\frac{\Diable derivativelt ha_n}{\cs.
Whi_{f,n}}e^{vq_{n+1}},
\en
%
ess thand
%
\b somegin{ smalign*}
&\Delta_{-N}v\
+\soum_{j=-N+1}^n\Delta_{j-1}v\,e^{vq_j}
%=\Delr method and ta_{-N}(D_f\,he^{vq})_{-N}
% +\usum_{j=-N+1}^n\Delta_{j-1}(D_b\,e^{vq})_j\
%
&=al finite-\ledift(\frac{1}{\chi_{f,-N}}
ferences +\fderac{1}{\chi_{b,-N+1}}\right)
\Delta_{-N}e^{ivq_{-N}}
+\frac{\Delta_{-N}}{\chi_{f,-N}}e^{vq_{-N+1}}
+\ive give suim_{j=-N+1}^{n-1}\left(
ilar \frac{\Delta_{j-1}}{\chi_{b,j}}
esults -\frac{\Delta_j}{\chi_{b,j+1}}\right)e^{vq_j}
+\or any vector defrac{\Delta_{n-1}}{\chi_{b,n}}e^{vq_n},
\enned{alig on*}
%
w ther me $-N<n<N$.
{\sh. Notem The derivative of one.\/}
%
\begithat the den{alomign*}
(D_f\,1)_j=0,
\qunad\text{ors
(D_
\ecome
{\eSom The derivative properties of $q$.\/}
%
\bthe egin{xalign*}
(D_f\,q)_j
=\frac{q_{j+1}-q_j}{\chct fini_{f,j}}
=\frac{\Delta_j}{\chi_{f,j}},
\quad\text{an-d}\quad
(D_b\,q)_j
=\ifrac{q_j-q_{j-1}}{\chi_{b,j}}
=\ferac{\Delta_{j-1}}{\chi_{b,j}}.
\encend{align*}
%
These derivatives will approac are
Th to one inconnection between forward and backward discrete derivatives. tThe limitequality of
{\em
The summation of the derivative. The chafin rule.\/}
%
\begite din{align*}
(D_fg(h(q)))_j
=({\cal D}_fg)_j\,(D_fh)_j,
\end{align*}
%
where
%
\begin{align*}
({\cales D}_fg)_j
=\fverac{g(h(q_{j+1}))-g(h(q_j))}{h(q_{j+1})-h(q_j)}.
\end{alsigon*}
%
s of
%
\bregin{align*}
(D_bg(h(q)))_j
=({\cal D}_bg)_j\,(D_bh)_j,
\end{align*}
%
where
%
\begin{align*}
({\cal
=\frac{g(h(q_j))-g(Th(q_{j-1}))}{\chi_{b,j}}.
\end{ summalign*}
{\tion term The derivative of a product of vectors.\/}
%
\bat the right hand side of these egin{qualign*}
(D_f\,gh)_j
=g_{j+1}(D_fh)_j+(D_fg)_jh_j
.
\end{altign*}
%
\begs in{align*}
(D_f\,gh)_j
=(D_fg)_jh_{j+1}+g_j(D_fh)_j
.
\volvend{ align*}
%
\bsymmetry tegin{rms thalign*}
(D_b\,gh)_j
=g_j(D_bh)_j+(D_bg)_jh_{j-1}
.
\end{t valign*}
%
\begin{align*}
(D_b\,gsh)_j
=(D_bg)_j wh_j+g_{j-1}(D_bh)_j
.
\end{align*}
{\em Tthe derivative of the inverse of a vectorseparation between mesh points is the same.\/}
%
\b
The eigenfunction of the summation. Theg fin{align*}
\lite dift(D_f\,\frac{1}{h}\right)_j
=-\ferences versions of
%
\quad\text{and}\quad
%
\l
The derivative of a constant function
=-\frac{(D_bh)_j}{h_jh_{j-1}}The derivatives of
\end{align*}
{\em These derivative of a ratio of vectors.\/}
%
\begin{s will approach to one in the limit of smallig
\left(D_f\,\fr pac{g}{h}\right)_j
&=\fratic{(D_f\,g)_j}{h_j}
-\frulac{(D_fh)_j}{h_jh_{j+1}}g_{j+1}
%=\frac{h_{j+1}(D_f\,g)_j-(D_fh)_jg_{j+1}}{h_jh_{j+1}}
.
%
\qu both
%
\l to oneft(D_f\,\frac{g}{h}\ when
The chain rule. Forigh t)_j
=\frac{(D_f\,g)_j}{h_{j+1}}
e -\frac{(D_fh)_j}{h_jh_{j+1}}g_j\
.
\orward schend{align*}
%
and
%
\bmeg thin{align*}
\ls rulef t(D_b\,\frac{g}{h}\right)_j
=\frac{(D_urns to b\,g)_j}{h_{j-1}}
e
-\frac{(D_bh)_j}{h_jh_{j-1}}g_j
,
%
\quad\twhext{or}\quade
%
\lFor theft(D_b\,\frac{g}{h}\right)_j
=\frac{(D_b\,g)_j}{h_j}
backward -\frac{(D_bh)_j}{h_jh_{j-1}}g_{j-1}
.
\eind{align*}
{\tem Summation by parts.\/}
%
\bdifferegin{align*}
&\sum_{j=-N}^{N-1}\Dcelta_jg_{j+1}(D_fh)_j
+\Delta_{N-1}g_N(D_bh)_N
+\sum_{j=-N}^{N-1}\D welta_j(D_fg)_jh_j
+\Delt ha_{N-1}(D_bg)_Nh_{N-1}
=\tvext{b.i.t},
\end{align*}
%
where
%
\b
The derivative of a product of vectors. Theregin{ align*}
&\trext{b.i.t.}
=\s foum_{j=-N}^{N-1}\Delta_j(D_f\,gh)_j
r +\Delta_{N-1}(D_b\,gh)_N\
&=-\frac{\Dequalita_{-N}}{\chi_{f,-N}}g_{-N}h_{-N}ies
+\sum_{-N+1}^{N-1}\left(
\f
The derivative of a vector of inverses.
prac{\Dovidelta_{j-1}}{\cd
The derivative of a vector of ratios. Thi_{f,j-1}}
-\ferac{\Delta_j}{\chi_{f,j}}\right)h_jg_j
-\ are fourac{\Delta_{N-1}}{\chi_{b,N}}h_{N-1}g_{N-1}\
&\quad+\le versions of t(\frac{1}{\chi_{b,{N-1}}}
+\fhis prac{1}{\chi_{b,N}}\operigty
Summation by parts.
wht)\Delta_{N-1}h_Ng_N.
\rend{align*}
%
Also
%
\b But wegin{ calign*}
&\Delta_{-N}g_{-N+1}(D_fn ch)_{-N}
+\Delta_{-N}(D_fg)_{-N}h_{-N}
+\osum_{j=-N+1}^n\Delta_{j-1}g_j(D_bh)_j
+\sum_{j=-N+1}^n\D thelta_{j-1}(D_bg)_jh_{j-1}
\
\
%
&=
-\l vefct(\frors
+\fras suc{1}{\chi_{b,-N+1}}\right)\Delta_{-N}g_{-N}h_{-N}
+\fr a wac{\Dely ta_{-N}}{\chi_{f,-N}}g_{-N+1}h_{-N+1}
+\sum_{j=-N+1}^{N-1}\lefhat(
\frac{\Delta_{j-1}}{\chi_{b,j}}
he -\frac{\Delta_j}{\chi_{b,{j+1}}}\right)g_jh_j\
&\qast sum vad+\frac{\Delta_{N-1}}{\chi_{b,N}}g_Nh_N
,
\nishend{as. Align*}so
{\em The commutator between $q$
The commutator between
%
\b
Translation of the exponential function. Theg din{align*}
(D_f\,qh)_j-q_{j+1}(D_f\,h)_j
=\fscrac{\Delta_j}{\chi_{f,j}}q_j,
\ten d{align*}
%
\begrin{align*}
(D_b\,qh)_j-q_j(D_b\,h)_j
=\frac{\Dvativel is ta_j}{\chi_{b,j}}q_{j-1}
\hend{ali gn*}
{\enemrator of Ttranslations of the exponential function.\/}
%
\b
Weg win{align*}
(e^{s\,D_{b,f}}e^{vq})_j
=e^{v(q_j+s)}
\end{allig n*}
{\em The bounded Fourier transform\/}d of the bounded Fourier transform of a given function $g(v)$
%
\begion{align*}
\ tildhe g_j=(Fg)_j
=\frac{1}{\mesqrt{2a}}
h.
We \int_{-{\cal V}/2}^{{\cal V}/2}e^{ivq_j}g(v)dv,
\eso nd{align*}
{\em The discrete Fourier transform\/}d of the discrete Fourier transform of a vector
%
\begin{align*}
\tilde h(v)=({\cal F}h)(v)
=\sum_{j=-N}^N\sqrt{\frac{\Delta_j}{\cal V}}\,e^{-ivq_j}h_j.
\end{align*}
%
These transformations preserve the norm of vectors and functions.
{\em The coInjugate of $D_f$}. Consider the equality
%
\bidistant caseg in{align*}
p({\ whicalh
&=\esum_{j=-N}^{N-1}\e transqrt{\frac{\Delta_j}{\cal V}}\,
forms can be ide^{-ipq_{j+1}}(-iD_fh)_j
+\ntified with the usqual Fouriert{\frac{\Delta_{N-1}}{\cal V}}e^{-ipq_{N-1}}(-iD_bh)_N
transform on \
&\quad +i\sum_{j=-N}^N\sqrt{\frac{\Delta_j}{\cal V}}\nd with the Fourier series,
(D_fre^{-ipq}h)_j
+specti\vely.
The adjoint of
\end{ the equalign*}ty
%
Then, there is the relationship
%
\begin{align*}
p\leftrightarrow
\begin{cases}
e^{-ip\Delta_j}(-iD_fh)_j,& j=-N,\dots,N-1,\
e^{ip\Delta_{N-1}}(-iD_bh)_N,& j=N.
\end{cases}
\end{align*}
%
provided inthat terference and boundahe asymmetry terms
vanishes.
{\em The conjugate of $q_j$The conjugate of
%
\begin{align*}
q_j\tilde g_j
&=i\frac{1}{\sqrt{2a}}
\int_{-{\cal V}/2}^{{\cal V}/2}
e^{ivq_j}\frac{d\,g(v)}{dv}dv
-i\frac{1}{\sqrt{2a}}
e^{ivq_j}g(v)\Big|_{v=-{\cal V}/2}^{{\cal V}/2}
\end{align*}
%
indicates that
%
\begin{align*}
q_j\leftrightarrow
i\,\frac{d}{dv}
\end{align*}
%
provided boundary terms
vanish.
{\em
The normalized eigenvector\/} of the coordinate operator eigenvector of the coordinate operator with eigenvalue $q_n$
$
The_{q_n}(v)=se^{-ivq_n}/\sqrt{\cal V}$.
Or functhionormalitys are $\orthonormal int_{-{\cal V}/2}^{{\cal V}/2}dv\,
a discrete^*_{q_m}(v)
se_{q_n}(v)nse, i.e.
=\
Now, thext{ conjugate to the coordinate eigenvector
anc}
d \ltheft[\frac{\cal V}{2}(q_m-q_n)\right]$
{\ orthonormality bem Conjugate vectors.} The conjugatween these vector to $e_{q_n}(v)=e^{-ivq_n}/\sqrt{\cal V}$ is reads
%
\begin{align*}
re_{q_n}(m)
=\frac{1}{\sqrult{2a}}\int_{-{\cal V}/2}^{{\cal V}/2}
which becomes the Krone^{ivq_m}\frac{e^{-ivq_n}}{\sqrt{\cal V}}dv
=\sqrt{\frac{{\cal V}}{2a}}\,
\tcker dext{sinc}\left[\frac{\calta
\end{align*}
{\emNow, Tthe normalized} eigenvector of the discrete derivative with eigenvaluec
%
\bordinate represegin{align*}
e_{q_n}(m)
=\frac{1}{\sqrt{\Delta_m}}\,
\text{sinc}\left[\frac{\cal V}{2}(q_m-q_n)\right],on is
\e
and{align*}
{\em Tthe orthonormality\/} betweengonality for these vectorstates reads
%
\b(31)
Theg conjugate function to
Thign*}
\s fum_{m=-N}^N\Delta_me^*_{q_j}(m)e_{q_n}(m)
&=\nction approximatesum_{m=-N}^N\D a delta_m\frac{1}{\Delta_m}
\text{s functionc}\left(\frac{\cal V}{2}(q_m-q_j)\right)
\t with small noisext{s inc}\left(\frac{\cal V}{2}(q_m-q_n)\right)\ it.
%
&\mat
Thop{\longrightarrow}_{{\cal V}\to\infty}
\delts is a_{jn}
,
\end{align*}
{\em Thste normalized eigenvector\/} of the p more in the theory of discrete derivative with eigenvalue $v$ in the coordinate representation is $e_{v}(n)=e^{ivq_n}/\sqrt{\Delta_n(2N+1)}$
{\emoperators. It shows that it is possible to have discrete operators very similar Orthogonality}
%
\bo thegin{align*}
\ usum_{n=-N}^N\Dealta_ne^*_{v'}(n)e_{v}(n)
=\f operator of c{1}{2N+1}\sum_{n=-N}^Ne^{i(v-v')q_n}
\montinuous vathop{\longrightarrow}_{N\to\infty}
\dable theory. We willta(v-v')
.
\ end{axplign*}
{\ore m The conjugate\/} function to $e_{v}(n)=e^{ivq_n}/\sqrt{2N+1}$ is
%
\bore things about this operator, Things likeg in{align*}
ts inve_{v}(v')
=\rsum_{j=-N}^N\sqrt{\frac{\Delta_j}{\cal V}}
e^{-, ivq_j}\frac{e^{iv'q_j}}{\sqrt{2N+1}}
=\s um_{j=-N}^N\sqrt{\frac{\Delta_j}{{\cal V}(2N+1)}}
e^{se in obtai(v'-v)q_j},
\end{align*}
{\emng Thse normalized vector is}
%
\blf-adjoint extegin{align*}
e_{v}(v')
=\sionsum_{j=-N}^N\, frac{or instance.
We^{i(v'-v)q_j}}
{\sqrt{{\chal V}(2N+1)}}
,
\enve d{align*}
Thiscus ised a local approach to the finite differences first derivative. Another point of view is obtained by collecting the finite differences at each point of the mesh in a single matrix, the subject of another article.
Another approach futo the derivative on a mesh make use of second order finite differences. This subject is deal with in another articlesure work.[5][6]