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Consequently, the BOA has sometimes been referred to as the born yesterday approximation (Ken Suslick, private communication).
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Consequently, the BOA has sometimes been referred to as the "born yesterday" approximation (Ken Suslick, private communication).
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The Meyer-Miller method (7,8) uses a histogramming technique to assign trajectories to particular electronic states. In many cases, this avoids the problem of predicting finite probabilities for energetically forbidden outcomes.
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The Meyer-Miller method (7,8) uses a histogramming technique to assign trajectories to particular electronic states. In many cases, this avoids the problem of predicting finite probabilities for energetically forbidden outcomes.
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In fact, only the action of the inverse overlap matrix is required, and therefore one can use iterative inversion procedures. In our experience, this becomes competitive with direct inversion once the basis set exceeds approximately 100 basis functions
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In fact, only the action of the inverse overlap matrix is required, and therefore one can use iterative inversion procedures. In our experience, this becomes competitive with direct inversion once the basis set exceeds approximately 100 basis functions.
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As suggested in
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As suggested in Genesis 9:7.
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