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energy expression po / output solution / unknown solutions / distinct total energy expressions / converged energy / convergence algorithms / approximate solution / troublesome systems / energy density / compact total energy expression / applicable algorithm / energy difference / molecular systems / versatile systems / energy / energy expression / /
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THE JOURNAL OF CHEMICAL PHYSICS 134, [removed]Communication: Linear-expansion shooting techniques for accelerating self-consistent field convergence Yan Alexander Wang,1,a) Chi Yung Yam,2 Ya Kun Chen,1 and GuanHua