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The quantum Monte Carlo (QMC) is one of the most promising many-bodyelectronic structure approaches. It employs stochastic techniques for solvingthe stationary Schr\" odinger equation and for evaluation of expectationvalues. The key advantage of QMC is its capability to use the explicitlycorrelated wave functions, which allow the study of many-body effects beyondthe reach of mean-field methods. The most important limit on QMC accuracy isthe fixed-node approximation, which comes from necessity to circumvent thefermion sign problem. The size of resulting fixed-node errors depends on thequality of the nodes (the subset of position space where the wave functionvanishes) of a used wave function. In this dissertation, we analyze the nodalproperties of the existing fermionic wave functions and offer new types ofvariational wave functions with improved nodal structure.

Generalized Pairing Wave Functions and Nodal Properties for Electronic Structure Quantum Monte Carlo