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An approximation strategy to compute accurate initial density matrices for repeated self-consistent field calculations at different geometries

机译：计算不同几何形状的重复自我一致性场计算精确初始密度矩阵的近似策略

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É. Polack; A. Mikhalev; G. Dusson; B. Stamm; F. Lipparini;
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An approximation strategy to compute accurate initial density matrices for repeated self-consistent field calculations at different geometries

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