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In an attempt to bypass the sign problem in quantum Monte Carlo simulation ofelectronic systems within the framework of fixed node approach, we derive theexclusion principle "Two electrons can't be at the same external isopotentialsurface simultaneously" using the first postulate of quantum mechanics. Wepropose the exact Coulomb-Exchange nodal surface i.e. the exact boundarycondition to solve the non-relativistic Schrodinger equation for thenon-degenerate ground state of atoms and molecules. This boundary condition wasapplied to compute the ground state energies of N, Ne, Li2, Be2, B2, C2, N2,O2, F2, and H2O systems using diffusion Monte Carlo method. The ground stateenergies thus obtained agree well with the exact estimate of non-relativisticenergies.

The Exact Boundary Condition to Solve the Schrodinger Equation of Many Electron System