8 A Refined Quartic Potential Surface for S 0 Formaldehyde
159
mt+=F1122/2.*x3*x3*(x1+x2)*(x1+x2);
mt+=F2255/2.*x3*x3*(x1-x2)*(x1-x2);
mt+=F1222/sqrt(2.)*x3*x3*x3*(x1+x2);
mt+=F1255/2./sqrt(2.)*x3*(x1*x1-x2*x2)*(x1-x2);
mt+=F1244/sqrt(2.)*x3*(x1+x2)*f*f;
mt+=F1144/2.*(x1+x2)*(x1+x2)*f*f;
mt+=F4444*f*f*f*f;
mt+=F2222*x3*x3*x3*x3;
mt+=F2244*x3*x3*f*f;
mt+=F4455/2.*(x1-x2)*(x1-x2)*f*f;
mt+=F1123/2./sqrt(2.)*x3*(x1+x2)*(x1+x2)*(t1+t2);
mt+=F2355/2./sqrt(2.)*x3*(x1-x2)*(x1-x2)*(t1+t2);
mt+=F1223/2.*x3*x3*(x1+x2)*(t1 + t2);
mt+=F1233/2./sqrt(2.)*x3*(x1+x2)*(t1+t2)*(t1+t2);
mt+=F1256/2./sqrt(2.)*x3*(x1*x1 - x2*x2)*(t1-t2);
mt+=F1266/2./sqrt(2.)*x3*(x1+x2)*(t1-t2)*(t1-t2);
mt+=F2256/2.*x3*x3*(x1-x2)*(t1-t2);
mt+=F2356/2./sqrt(2.)*x3*(x1-x2)*(t1*t1 - t2*t2);
mt+=F1113/4.*(x1+x2)*(x1+x2)*(x1+x2)*(t1+t2);
mt+=F1355/4.*(x1*x1-x2*x2)*(x1-x2)*(t1+t2);
mt+=F1133/4.*(x1+x2)*(x1+x2)*(t1+t2)*(t1+t2);
mt+=F3355/4.*(x1-x2)*(x1-x2)*(t1+t2)*(t1+t2);
mt+=F1156/4.*(x1+x2)*(x1+x2)*(x1-x2)*(t1-t2);
mt+=F5556/4.*(x1-x2)*(x1-x2)*(x1-x2)*(t1-t2);
mt+=F1166/4.*(x1+x2)*(x1+x2)*(t1-t2)*(t1-t2);
mt+=F5566/4.*(x1-x2)*(x1-x2)*(t1-t2)*(t1-t2);
mt+=F1356/4.*(x1*x1 - x2*x2)*(t1*t1 - t2*t2);
mt+=F1366/4.*(x1+x2)*(t1*t1-t2*t2)*(t1-t2);
mt+=F1333/4.*(x1+x2)*(t1+t2)*(t1+t2)*(t1+t2);
mt+=F3356/4.*(x1-x2)*(t1*t1-t2*t2)*(t1-t2);
mt+=F5666/4.*(x1-x2)*(t1-t2)*(t1-t2)*(t1-t2);
mt+=F1344/2.*(x1+x2)*(t1+t2)*f*f;
mt+=F2223/sqrt(2.)*x3*x3*x3*(t1+t2);
mt+=F2233/2.*x3*x3*(t1+t2)*(t1+t2);
mt+=F2266/2.*x3*x3*(t1-t2)*(t1-t2);
mt+=F2333/2./sqrt(2.)*x3*(t1+t2)*(t1+t2)*(t1+t2);
mt+=F2366/2./sqrt(2.)*x3*(t1*t1-t2*t2)*(t1-t2);
mt+=F2344/sqrt(2.)*x3*(t1+t2)*f*f;
mt+=F3333/4.*(t1+t2)*(t1+t2)*(t1+t2)*(t1+t2);
mt+=F3366/4.*(t1*t1-t2*t2)*(t1*t1-t2*t2);
mt+=F6666/4.*(t1-t2)*(t1-t2)*(t1-t2)*(t1-t2);
mt+=F3344/2.*(t1+t2)*(t1+t2)*f*f;
mt+=F4456/2.*(x1-x2)*(t1-t2)*f*f;
mt+=F4466/2.*(t1-t2)*(t1-t2)*f*f;
mt*=Fact2;
cout<<"\nPotential energy="<
return;
159
mt+=F1122/2.*x3*x3*(x1+x2)*(x1+x2);
mt+=F2255/2.*x3*x3*(x1-x2)*(x1-x2);
mt+=F1222/sqrt(2.)*x3*x3*x3*(x1+x2);
mt+=F1255/2./sqrt(2.)*x3*(x1*x1-x2*x2)*(x1-x2);
mt+=F1244/sqrt(2.)*x3*(x1+x2)*f*f;
mt+=F1144/2.*(x1+x2)*(x1+x2)*f*f;
mt+=F4444*f*f*f*f;
mt+=F2222*x3*x3*x3*x3;
mt+=F2244*x3*x3*f*f;
mt+=F4455/2.*(x1-x2)*(x1-x2)*f*f;
mt+=F1123/2./sqrt(2.)*x3*(x1+x2)*(x1+x2)*(t1+t2);
mt+=F2355/2./sqrt(2.)*x3*(x1-x2)*(x1-x2)*(t1+t2);
mt+=F1223/2.*x3*x3*(x1+x2)*(t1 + t2);
mt+=F1233/2./sqrt(2.)*x3*(x1+x2)*(t1+t2)*(t1+t2);
mt+=F1256/2./sqrt(2.)*x3*(x1*x1 - x2*x2)*(t1-t2);
mt+=F1266/2./sqrt(2.)*x3*(x1+x2)*(t1-t2)*(t1-t2);
mt+=F2256/2.*x3*x3*(x1-x2)*(t1-t2);
mt+=F2356/2./sqrt(2.)*x3*(x1-x2)*(t1*t1 - t2*t2);
mt+=F1113/4.*(x1+x2)*(x1+x2)*(x1+x2)*(t1+t2);
mt+=F1355/4.*(x1*x1-x2*x2)*(x1-x2)*(t1+t2);
mt+=F1133/4.*(x1+x2)*(x1+x2)*(t1+t2)*(t1+t2);
mt+=F3355/4.*(x1-x2)*(x1-x2)*(t1+t2)*(t1+t2);
mt+=F1156/4.*(x1+x2)*(x1+x2)*(x1-x2)*(t1-t2);
mt+=F5556/4.*(x1-x2)*(x1-x2)*(x1-x2)*(t1-t2);
mt+=F1166/4.*(x1+x2)*(x1+x2)*(t1-t2)*(t1-t2);
mt+=F5566/4.*(x1-x2)*(x1-x2)*(t1-t2)*(t1-t2);
mt+=F1356/4.*(x1*x1 - x2*x2)*(t1*t1 - t2*t2);
mt+=F1366/4.*(x1+x2)*(t1*t1-t2*t2)*(t1-t2);
mt+=F1333/4.*(x1+x2)*(t1+t2)*(t1+t2)*(t1+t2);
mt+=F3356/4.*(x1-x2)*(t1*t1-t2*t2)*(t1-t2);
mt+=F5666/4.*(x1-x2)*(t1-t2)*(t1-t2)*(t1-t2);
mt+=F1344/2.*(x1+x2)*(t1+t2)*f*f;
mt+=F2223/sqrt(2.)*x3*x3*x3*(t1+t2);
mt+=F2233/2.*x3*x3*(t1+t2)*(t1+t2);
mt+=F2266/2.*x3*x3*(t1-t2)*(t1-t2);
mt+=F2333/2./sqrt(2.)*x3*(t1+t2)*(t1+t2)*(t1+t2);
mt+=F2366/2./sqrt(2.)*x3*(t1*t1-t2*t2)*(t1-t2);
mt+=F2344/sqrt(2.)*x3*(t1+t2)*f*f;
mt+=F3333/4.*(t1+t2)*(t1+t2)*(t1+t2)*(t1+t2);
mt+=F3366/4.*(t1*t1-t2*t2)*(t1*t1-t2*t2);
mt+=F6666/4.*(t1-t2)*(t1-t2)*(t1-t2)*(t1-t2);
mt+=F3344/2.*(t1+t2)*(t1+t2)*f*f;
mt+=F4456/2.*(x1-x2)*(t1-t2)*f*f;
mt+=F4466/2.*(t1-t2)*(t1-t2)*f*f;
mt*=Fact2;
cout<<"\nPotential energy="<
