Moller - Plesset series calculated by PSI3

Mathematica program

(* Moller - Plesset series calculated by PSI3 *)

(* Data Format:
{molecule, basis, data file or structure name, diatomic bond distance, FCI energy, n=highest order of data in perturbation series,
   {MP1,MP2,...MPn total energies}} *)
alldata =
  {{"O<SUP>2-</SUP>", "aug-cc-pVDZ", "", 0.0, 
-74.7238697772615, 
      35-1, { 
-39.722286828215104(*,*)+
-34.713416598195082,
   -0.301643761470571,
    0.055905599398757,
   -0.078686404033813,
    0.094583816677839,
   -0.149300027524308,
    0.241948259909253,
   -0.401136751774606,
    0.667252363693988,
   -1.112020343918861,
    1.851774093021330,
   -3.077955750708124,
    5.101104909134660,
   -8.422731698764311,
   13.846114413511405,
  -22.647457363976947,
   36.835168115691665,
  -59.535943871016002,
   95.556247289482371,
 -152.173948275348351,
  240.206597316228340,
 -375.358316474678190,
  579.722808376731791,
 -883.030412484289741,
 1322.612625673744105,
-1939.823892996429549,
 2768.277247087677097,
-3804.776171257621172,
 4945.614603366643678,
-5856.134478876347202,
 5715.253088836919233,
-2731.007857912224608,
-6755.384534705881379,
29892.763632927490107
}}
};

printprogr["data"];

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Designed by A. Sergeev.