User profile: mmgh

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User name:	mmgh
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Number of posts:	44
Latest posts:	Numerical analysis problem Yeah not so trivial. I am trying to find another way to implement the code. Thank you all, M Numerical analysis problem r is in nm and x_i and x_j are in 1/nm so a and b are dimensionless. Numerical analysis problem Lets say we have two 3s Slater orbitals i and j and r is their distances and x is the exponent (widt... Numerical analysis problem You can find more info about the integrand here http://www.theochem.ru.nl/~pwormer/Knowino/knowino.o... Numerical analysis problem That is the Coulomb integral between two interacting 3s Slater atomic orbitals in 3D Cartesian space...