cp's OEIS Frontend

This is a front-end for the Online Encyclopedia of Integer Sequences, made by Christian Perfect. The idea is to provide OEIS entries in non-ancient HTML, and then to think about how they're presented visually. The source code is on GitHub.

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A198954 Expansion of the rotational partition function for a heteronuclear diatomic molecule.

Original entry on oeis.org

1, 3, 0, 5, 0, 0, 7, 0, 0, 0, 9, 0, 0, 0, 0, 11, 0, 0, 0, 0, 0, 13, 0, 0, 0, 0, 0, 0, 15, 0, 0, 0, 0, 0, 0, 0, 17, 0, 0, 0, 0, 0, 0, 0, 0, 19, 0, 0, 0, 0, 0, 0, 0, 0, 0, 21, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 23, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 25, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 27, 0, 0, 0, 0, 0, 0, 0
Offset: 0

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Author

Michael Somos, Oct 31 2011

Keywords

Comments

The partition function of a heteronuclear diatomic molecule is Sum_{J>=0} (2*J + 1) * exp( - J * (J + 1) * hbar^2 / (2 * I * k * T)) where I is the moment of inertia, hbar is reduced Planck's constant, k is Boltzmann's constant, and T is temperature. The degeneracy for the J-th energy level is 2*J + 1.
As triangle: triangle T(n,k), read by rows, given by (3,-4/3,1/3,0,0,0,0,0,0,0,...) DELTA (0,0,0,0,0,0,0,0,0,0,...) where DELTA is the operator defined in A084938. - Philippe Deléham, Nov 01 2011
Note that the g.f. theta_1'(0, q^(1/2)) / (2 * q^(1/8)) = 1 - 3*q + 5*q^3 - 7*q^6 + 9*q^10 + ... which is the same as this sequence except the signs alternate. - Michael Somos, Aug 26 2015

Examples

			G.f. = 1 + 3*x + 5*x^3 + 7*x^6 + 9*x^10 + 11*x^15 + 13*x^21 + 15*x^28 + ...
G.f. = 1 + 3*q^2 + 5*q^6 + 7*q^12 + 9*q^20 + 11*q^30 + 13*q^42 + 15*q^56 + ...
Triangle begins:
   1;
   3, 0;
   5, 0, 0;
   7, 0, 0, 0;
   9, 0, 0, 0, 0;
  11, 0, 0, 0, 0, 0;
  13, 0, 0, 0, 0, 0, 0;
  15, 0, 0, 0, 0, 0, 0, 0;
  17, 0, 0, 0, 0, 0, 0, 0, 0;
		

References

  • G. H. Wannier, Statistical Physics, Dover Publications, 1987, see p. 215 equ. (11.13).

Crossrefs

Programs

  • Maple
    seq(op([2*i+1,0$i]), i=0..10); # Robert Israel, Jan 15 2015
  • Mathematica
    a[ n_] := If[ n < 0, 0, With[ {m = Sqrt[8 n + 1]}, If[ IntegerQ[m], m KroneckerSymbol[ 4, m], 0]]]; (* Michael Somos, Aug 26 2015 *)
  • PARI
    {a(n) = my(m); if( issquare( 8*n + 1, &m), m, 0)};

Formula

G.f.: Sum_{k>=0} (2*k + 1) * x^( (k^2 + k) / 2). This is related to Jacobi theta functions.
a(n) = (t*(t+1)-2*n-1)*(t-r), where t = floor(sqrt(2*(n+1))+1/2) and r = floor(sqrt(2*n)+1/2). - Mikael Aaltonen, Jan 15 2015
a(n) = A053187(2n+1) - A053187(2n). - Robert Israel, Jan 15 2015
a(n) = abs(A010816(n)). - Joerg Arndt, Jan 16 2015
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