Section: 17 | Special Functions |
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John R. Rumble, ed., CRC Handbook of Chemistry and Physics, 103rd Edition (Internet Version 2022), CRC Press/Taylor & Francis, Boca Raton, FL.
If a specific table is cited, use the format: "Physical Constants of Organic Compounds," in CRC Handbook of Chemistry and Physics, 103rd Edition (Internet Version 2022), John R. Rumble, ed., CRC Press/Taylor & Francis, Boca Raton, FL.

8 SPECIAL FUNCTIONS

8.1 ORTHOGONAL POLYNOMIALS

  1. Legendre  Symbol:Pn(x)   Interval: [ 1,1 ]

    Differential Equation:(1x2)y2xy+n(n+1)y=0

    Explicit Expression:Pn(x)=12nm=0[n/2](1)m(nm)(2n2mn)xn2m

    Recurrence Relation:(n+1)Pn+1(x)=(2n+1)xPn(x)nPn1(x)

    Weight:  1

    Standardization:Pn(1)=1

    Norm:1+1[Pn(x)]2dx=22n+1

    Rodrigues' Formula:Pn(x)=(1)n2nn!dndxn{(1x2)n}

    Generating Function:R1=n=0Pn(x)zn;1<x<1,   |z|   <1,R=12xz+z2

    Inequality:|Pn(x)|1,1x1 .

  2. Tschebysheff, First Kind  Symbol:Tn(x)   Interval:[−1, 1]

    Differential Equation:(1x2)yxy+n2y=0

    Explicit Expression:n2m=0[n/2](1)m(nm1)!m!(n2m)!(2x)n2m=cos(narccosx)=Tn(x)

    Recurrence Relation:Tn+1(x)=2xTn(x)Tn1(x)

    Weight:(1x2)1/2

    Standardization:Tn(1)=1

    Norm:1+1(1x2)1/2[Tn(x)]2dx={π/2,n0π,n=0

    Rodrigues' Formula:(1)n(1x2)1/2π2n+1Γ(n+12)dndxn{(1x2)n(1/2)}=Tn(x)

    Generating Function:1xz12xzz2=n=0Tn(x)zn,1<x<1,   |z|<1

    Inequality:|Tn(x)|1,1x1 .

  3. Tschebysheff, Second KindSymbolUn(x)   Interval: [−1, 1]

    Differential Equation:(1x2)y3xy+n(n+2)y=0

    Explicit Expression: Un(x)=m=0[n/2](1)m(mn)!m!(n2m)!(2x)n2mUn(cosθ)=sin[(n+1)θ]sinθ

    Recurrence Relation:Un+1(x)=2xUn(x)Un1(x)

    Weight:(1x2)1/2

    Standardization:Un(1)=n+1

    Norm:1+1(1x2)1/2[Un(x)]2dx=π2

    Rodrigues' Formula:Un(x)=(1)n(n+1)π(1x2)1/22n+1Γ(n+32)dndxn{(1x2)n+(1/2)}

    Generating Function:112xz+z2=n=0Un(x)zn,1<x<1,   |z|<1

    Inequality:|Un(x)|n+1,1x1.

  4. Jacobi  Symbol:Pn(α,β)(x)   Interval: [−1, 1]

    Differential Equation:(1x2)y+[βα(α+β+2)x]y+n(n+α+β+1)y=0

    Explicit Expression:Pn(α,β)(x)=12nm=0n(n+αm)(n+βnm)(x1)nm(x+1)m

    Recurrence Relation:2(n+1)(n+α+β+1)(2n+α+β)Pn+1(α,β)(x)   =(2n+α+β+1)[(α2β2)+(2n+α+β+2)   ×(2n+α+β)x]Pn(α,β)(x)      2(n+α)(n+β)(2n+α+β+2)Pn1(α,β)(x)

    Weight:(1x)α(1+x)β;α,β>1

    Standardization:Pn(α,β)(x)=n+αn

    Norm:1+1(1x)α(1+x)β[Pn(α,β)(x)]2dx=2α+β+1Γ(n+α+1)Γ(n+β+1)(2n+α+β+1)n!Γ(n+α+β+1)

    Rodrigues' Formula:Pn(α,β)(x)=(1)n2nn!(1x)α(1+x)βdndxn{(1x)n+α(1+x)n+β}

    Generating Function:R1(1z+R)α(1+z+R)β=n=02αβPn(α,β)(x)zn,R=12xz+z2,   |z|<1

    Inequality:max1x1|Pn(α,β)(x)|={(n+qn)~nqifq=max(α,β)12|Pn(α,β)(x)|~n1/2ifq<12xis one of the two maximum points nearestβαα+β+1

  5. Generalized Laguerre  Symbol:Ln(α)(x)   Interval:[0,]

    Differential Equation:xy+(α+1x)y+ny=0

    Explicit Expression:Ln(α)(x)=m=0n(1)m(n+αnm)1m!xm

    Recurrence Relation:(n+1)Ln(α)+1(x)=[(2n+α+1)x]Ln(α)(x)(n+α)Ln(α)1(x)

    Weight:xαex,α>1

    Standardization:Ln(α)(x)=(1)nn!xn+

    Norm:0xαex[Ln(α)(x)]2dx=Γ(n+α+1)n!

    Rodrigues' Formula:Ln(α)(x)=1n!xαexdndxn{xn+αex}

    Generating Function:(1z)α1exp(xzz1)=n=0Ln(α)(x)zn

    Inequality:Ln(α)(x)Γ(n+α+1)n!Γ(α+1)ex/2;   x0α>0|Ln(a)(x)|[2Γ(α+n+1)n!Γ(α+1)]ex/2;   x01<α<0

  6. Hermite  Symbol:Hn(x)   Interval:[,]

    Differential Equation:y2xy+2ny=0

    Explicit Expression:Hn(x)=m=0[n/2](1)mn!(2x)n2mm!(n2m)!

    Recurrence Relation:Hn+1(x)=2xHn(x)2nHn1(x)

    Weight:ex2

    Standardization:Hn(1)=2nxn+

    Norm:ex2[Hn(x)]2dx=2nn!π

    Rodrigues' Formula:Hn(x)=(1)nex2dndxn(ex2)

    Generating Function:ex2+2zx=n=0Hn(x)znn!

    Inequality:|Hn(x)|ex2/2k2n/2n!k1.086435

8.2 TABLES OF ORTHOGONAL POLYNOMIALS

In the following, {Hn,Ln,Pn,Tn,Un} represent the nth order Hermite, Laguerre, Legendre, Tschebysheff (first kind), and Tschebysheff (second kind) polynomials.

H0=1 x10=(30240H0+75600H2+25200H4+2520H6+90H8+H10)/1024
H1=2x x9=(15120H1+10080H3+1512H5+72H7+H9)/512
H2=4x22 x8=(1680H0+3360H2+840H4+56H6+H8)/256
H3=8x312x x7=(840H1+420H3+42H5+H7)/128
H4=16x448x2+12 x6=(120H0+180H2+30H4+H6)/64
H5=32x5160x3+120x x5=(60H1+20H3+H5)/32
H6=64x6480x4+720x2120 x4=(12H0+12H2+H4)/16
H7=128x71344x5+3360x31680x x3=(6H1+H3)/8
H8=256x83584x6+13440x413440x2+1680 x2=(2H0+H2)/4
H9=512x99216x7+48384x580640x3+30240x x=(H1)/2
H10=1024x1023040x8+161280x6403200x4+302400x230240 1=H0
L0=1 x6=720L04320L1+10800L214400L3+10800L44320L5+720L6
L1=x+1 x5=120L0600L1+1200L21200L3+600L4120L5
L2=(x24x+2)/2 x4=24L096L1+144L296L3+24L4
L3=(x3+9x218x+6)/6 x3=6L018L1+18L26L3
L4=(x416x3+72x296x+24)/24 x2=2L04L1+2L2
L5=(x5+25x4200x3+600x2600x+120)/120 x=L0L1
L6=(x636x5+450x42400x3+5400x24320x+720)/720 1=L0
P0=1 x10=(4199P0+16150P2+15504P4+7904P6+2176P8+256P10)/46189
P1=x x9=(3315P1+4760P3+2992P5+960P7+128P9)/12155
P2=(3x21)/2 x8=(715P0+2600P2+2160P4+832P6+128P8)/6435
P3=(5x33x)/2 x7=(143P1+182P3+88P5+16P7)/429
P4=(35x430x2+3)/8 x6=(33P0+110P2+72P4+16P6)/231
P5=(63x570x3+15x)/8 x5=(27P1+28P3+8P5)/63
P6=(231x6315x4+105x25)/16 x4=(7P0+20P2+8P4)/35
P7=(429x7693x5+315x335x)/16 x3=(3P1+2P3)/5
P8=(6435x812012x6+6930x41260x2+35)/128 x2=(P0+2P2)/3
P9=(12155x925740x7+18018x54620x3+315x)/128 x=P1
P10=(46189x10109395x8+90090x630030x4+3465x263)/256 1=P0
T0=1 x10=(126T0+210T2+120T4+45T6+10T8+T10)/512
T1=x x9=(126T1+84T3+36T5+9T7+T9)/256
T2=2x21 x8=(35T0+56T2+28T4+8T6+T8)/128
T3=4x33x x7=(35T1+21T3+7T5+T7)/64
T4=8x48x2+1 x6=(10T0+15T2+6T4+T6)/32
T5=16x520x3+5x x5=(10T1+5T3+T5)/16
T6=32x648x4+18x21 x4=(3T0+4T2+T4)/8
T7=64x7112x5+56x37x x3=(3T1+T3)/4
T8=128x8256x6+160x432x2+1 x2=(T0+T2)/2
T9=256x9576x7+432x5120x3+9x x=T1
T10=512x101280x8+1120x6400x4+50x21 1=T0
U0=1 x10=(42U0+90U2+75U4+35U6+9U8+U10)/1024
U1=2x x9=(42U1+48U3+27U5+8U7+U9)/512
U2=4x21 x8=(14U0+28U2+20U4+7U6+U8)/256
U3=8x34x x7=(14U1+14U3+6U5+U7)/128
U4=16x412x2+1 x6=(5U0+9U2+5U4+U6)/64
U5=32x532x3+6x x5=(5U1+4U3+U5)/32
U6=64x680x4+24x21 x4=(2U0+3U2+U4)/16
U7=128x7192x5+80x38x x3=(2U1+U3)/8
U8=256x8448x6+240x440x2+1 x2=(U0+U2)/4
U9=512x91024x7+672x5160x3+10x x=(U1)/2
U10=1024x102304x8+1792x6560x4+60x21 1=U0

8.3 BESSEL FUNCTIONS

  1. Bessel's differential equation for a real variable x is x2d2ydx2+xdydx+(x2n2)y=0
  2. When n is not an integer, two independent solutions of the equation are Jn(x) and Jn(x) where Jn(x)=∑k=0∞(−1)kk!Γ(n+k+1)(x2)n+2k
  3. If n is an integer then Jn(x)=(1)nJn(x) , where Jn(x)=xn2nn!{1x222·1!(n+1)+x424·2!(n+1)(n+2)+x626·3!(n+1)(n+2)(n+3)+}
  4. For n=0 and n=1 , this formula becomes J0(x)=1x222(1!)2+x424(2!)2x626(3!)2+x828(4!)2J1(x)=x2x323·1!2!+x525·2!3!x727·3!4!+x929·4!5!
  5. Table of zeros for J0(x) and J1(x) . Define {αn,βn} by J0(αn)=0 and J1(βn)=0 .
    Roots αn J1(αn) Roots βn J0(βn)
    2.4048 0.5191 0.0000 1.0000
    5.5201 0.3403 3.8317 0.4028
    8.6537 0.2715 7.0156 0.3001
    11.7915 0.2325 10.1735 0.2497
    14.9309 0.2065 13.3237 0.2184
    18.0711 0.1877 16.4706 0.1965
    21.2116 0.1733 19.6159 0.1801
  6. Recurrence formulas Jn1(x)+Jn+1(x)=2nxJn(x)nJn(x)+xJn(x)=xJn1(x)Jn1(x)Jn+1(x)=2Jn(x)nJn(x)xJn(x)=xJn+1(x)
  7. If Jn is written for Jn(x) and Jn(k) is written for dkdxk{Jn(x)} , then the following derivative relationships are important J0(r)=J1(r1)J0(2)=J0+1xJ1=12(J2J0)J0(3)=1xJ0+(12x2)J1=14(J3+3J1)J0(4)=(13x2)J0(2x6x3)J1=18(J44J2+3J0),etc.
  8. Half-order Bessel functions J12(x)=2πxsinxJ12(x)=2πxcosxJn+32(x)=xn+12ddx{x(n+12)Jn+12(x)}Jn12(x)=x(n+12)ddx{xn+12Jn+12(x)}
    n (πx2)12Jn+12(x) (πx2)12J(n+12)(x)
    0 sinx cosx
    1 sinxxcosx cosxxsinx
    2 (3x21)sinx3xcosx (3x21)cosx+3xsinx
    3 (15x36x)sinx(15x21)cosx (15x36x)cosx(15x21)sinx
  9. Additional solutions to Bessel's equation are Yn(x) (also called Weber's function, and sometimes denoted by Nn(x) ) and Hn(1)(x) and Hn(2)(x) (also called Hankel functions) These solutions are defined as follows Yn(x)={Jn(x)cos(nπ)−J−n(x)sin(nπ)nnot an integerHn(1)(x)=Jn(x)+iYn(x)limv→nJv(x)cos(vπ)−J−v(x)sin(vπ)nan integerHn(2)(x)=Jn(x)−iYn(x) The additional properties of these functions may all be derived from the above relations and the known properties of Jn(x) .
  10. Complete solutions to Bessel's equation may be written as c1Jn(x)+c2Jn(x) when n is not an integer or, for any value of n , c1Jn(x)+c2Yn(x) or c1Hn(1)x+c2Hn(2)(x) .
  11. The modified (or hyperbolic) Bessel's differential equation is x2d2ydx2+xdydx(x2+n2)y=0
  12. When n is not an integer, two independent solutions of the equation are In(x) and In(x) , where In(x)=k=01k!Γ(n+k+1)(x2)n+2k
  13. If n is an integer, In(x)=In(x)=xn2nn!(1+x222·1!(n+1)+x424·2!(n+1)(n+2)+x626·3!(n+1)(n+2)(n+3)+)
  14. For n=0 and n=1 , this formula becomes I0(x)=1+x222(1!)2+x424(2!)2+x626(3!)2+x828(4!)2+I1(x)=x2+x323·1!2!+x525·2!3!+x727·3!4!+x929·4!5!+
  15. Another solution to the modified Bessel's equation is Kn(x)={12πI−n(x)−In(x)sin(nπ)nnot an integerlimv→n12πI−v(x)−Iv(x)sin(vπ)nan integer This function is linearly independent of In(x) for all values of n . Thus the complete solution to the modified Bessel's equation may be written as c1In(x)+c2In(x)   whennis not an integer or c1In(x)+c2Kn(x)   for any value ofn
  16. The following relations hold among the various Bessel functions: In(z)=imJm(iz)Yn(iz)=(i)n+1In(z)2πinKn(z) Most of the properties of the modified Bessel function may be deduced from the known properties of Jn(x) by use of these relations and those previously given.
  17. Recurrence formulas In1(x)In+1(x)=2nxIn(x)In1(x)+In+1(x)=2In(x)In1(x)nxIn(x)=In(x)In(x)=In+1(x)+nxIn(z)

8.4 FACTORIAL FUNCTION

For non-negative integers n , the factorial of n , denoted n! , is the product of all positive integers less than or equal to n ; n!=n·(n1)·(n2)2·1 . If n is a negative integer ( n=1,2, ) then n!=± .

Approximations to n! for large n include Stirling's formula n!2πe(ne)n+12, and Burnsides's formula n!2π(n+12e)n+12.

n n! log10n! n n! log10n!
0 1 0.00000 1 1 0.00000
2 2 0.30103 3 6 0.77815
4 24 1.38021 5 120 2.07918
6 720 2.85733 7 5040 3.70243
8 40320 4.60552 9 3.6288×105 5.55976
10 3.6288×106 6.55976 11 3.9917×107 7.60116
12 4.7900×108 8.68034 13 6.2270×109 9.79428
14 8.7178×1010 10.94041 15 1.3077×1012 12.11650
16 2.0923×1013 13.32062 17 3.5569×1014 14.55107
18 6.4024×1015 15.80634 19 1.2165×1017 17.08509
20 2.4329×1018 18.38612 25 1.5511×1025 25.19065
30 2.6525×1032 32.42366 40 8.1592×1047 47.91165
50 3.0414×1064 64.48307 60 8.3210×1081 81.92017
70 1.1979×10100 100.07841 80 7.1569×10118 118.85473
90 1.4857×10138 138.17194 100 9.3326×10157 157.97000
110 1.5882×10178 178.20092 120 6.6895×10198 198.82539
130 6.4669×10219 219.81069 150 5.7134×10262 262.75689
500 1.2201×101134 1134.0864 1000 4.0239×102567 2567.6046

8.5 Gamma Function

Definition:Γ(n)=0tn1etdt   n>0

Recursion Formula:Γ(n+1)=nΓ(n)Γ(n+1)=n!ifn=0,1,2,where0!=1For n<0the gamma function can be defined by using Γ(n)=Γ(n+1)n

Special Values:Γ(1/2)=πΓ(m+12)=1·3·5(2m1)2mπ   m=1,2,3,Γ(m+12)=(1)m2mπ1·3·5(2m1)      m=1,2,3,

Special Formulas:Γ(x+1)=limk1·2·3k(x+1)(x+2)(x+k)kx1Γ(x)=xeγxΠm=1{(1+xm)ex/m}      (γis Euler"s constant)

Properties:Γ(1)=0eγxlnxdx=γΓ(x)Γ(x)=γ+(111x)+(121x+1)++(1n1x+n1)+Γ(x+1)=2πxxxex{1+112x+1288x213951,840x3+}      (Stirling"s asymptotic series)

n Γ(n) n Γ(n) n Γ(n) n Γ(n)
1.00 1.00000 1.25 .90640 1.50 .88623 1.75 .91906
1.01 .99433 1.26 .90440 1.51 .88659 1.76 .92137
1.02 .98884 1.27 .90250 1.52 .88704 1.77 .92376
1.03 .98355 1.28 .90072 1.53 .88757 1.78 .92623
1.04 .97844 1.29 .89904 1.54 .88818 1.79 .92877
1.05 .97350 1.30 .89747 1.55 .88887 1.80 .93138
1.06 .96874 1.31 .89600 1.56 .88964 1.81 .93408
1.07 .96415 1.32 .89464 1.57 .89049 1.82 .93685
1.08 .95973 1.33 .89338 1.58 .89142 1.83 .93969
1.09 .95546 1.34 .89222 1.59 .89243 1.84 .94261
1.10 .95135 1.35 .89115 1.60 .89352 1.85 .94561
1.11 .94740 1.36 .89018 1.61 .89468 1.86 .94869
1.12 .94359 1.37 .88931 1.62 .89592 1.87 .95184
1.13 .93993 1.38 .88854 1.63 .89724 1.88 .95507
1.14 .93642 1.39 .88785 1.64 .89864 1.89 .95838
1.15 .93304 1.40 .88726 1.65 .90012 1.90 .96177
1.16 .92980 1.41 .88676 1.66 .90167 1.91 .96523
1.17 .92670 1.42 .88636 1.67 .90330 1.92 .96877
1.18 .92373 1.43 .88604 1.68 .90500 1.93 .97240
1.19 .92089 1.44 .88581 1.69 .90678 1.94 .97610
1.20 .91817 1.45 .88566 1.70 .90864 1.95 .97988
1.21 .91558 1.46 .88560 1.71 .91057 1.96 .98374
1.22 .91311 1.47 .88563 1.72 .91258 1.97 .98768
1.23 .91075 1.48 .88575 1.73 .91466 1.98 .99171
1.24 .90852 1.49 .88595 1.74 .91683 1.99 .99581
2.00 1.00000

8.6 BETA FUNCTION

Definition:B(m,n)=01tm1(1t)n1dt   m>0,n>0

Relationship with Gamma function:B(m,n)=Γ(m)Γ(n)Γ(m+n)

Properties:B(m,n)=B(n,m)B(m,n)=20π/2sin2m1θcos2n1θdθB(m,n)=0tm1(1+t)m+ndtB(m,n)=rn(r+1)m01tm1(1t)n1(r+t)m+ndt

8.7 ERROR FUNCTION

Definition:erf(x)=2π0xet2dt

Series:erf(x)=2π(xx33+12!x5513!x77+)

Property:erf(x)=erf(x)

Relationship with Normal Probability Functionf(t) :  0xf(t)dt=12erf(x2) To evaluate erf(2.3) , one proceeds as follows: For x2=2.3 , one finds x=(2.3)(2)=3.25 . In the normal probability function table, one finds the entry 0.4994 opposite the value 3.25. Thus erf(2.3)=2(0.4994)=0.9988 . erfc(z)=1erf(z)=2πzet2dt is known as the complementary error function.

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We use metadata to avoid some of these issues by including certain keywords invisibly behind each table. Whilst this approach works well in many situations, like any web search it relies in the terms you have entered existing in the document with the same spelling, abbreviation etc.

Since chemical compounds and their properties are immutable, a single centralised database has been created from all chemical compounds throughout HBCP. This database contains every chemical compound and over 20 of the most common physical properties collated from each of the >700 tables. What's more, the properties can be searched numerically, including range searching, and you can even search by drawing a chemical structure. A complete list of every document table in which the compound occurs is listed, and are hyperlinked to the relevant document table.

The 'Search Chemicals' page can be found by clicking the flask icon in the navigation bar at the top of this page. For more detailed information on how to use the chemical search, including adding properties, saving searches, exporting search results and more, click the help icon in to top right of this page, next to the welcome login message.

Below is an example of a chemical entry, showing its structure, physical properties and document tables in which it appears.

image of an example chemical entry
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Cookie Policy

Cookie Policy

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You can also contact the Privacy Officer for the Informa PLC group at [email protected].


Our Cookies

Here is a list of cookies we have defined as 'Strictly Necessary':

Taylor and Francis 'First Party' Cookies

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Here is a list of the cookies we have defined as 'Performance'.

'Third Party' Cookies

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Taylor & Francis has chosen to complete the International version of VPAT which encompasses Section 508 (US), EN 301 549 (EU) and WCAG2.1 (Web Content Accessibility Guidelines) for its products.

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