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Titlebook: Linear-Scaling Techniques in Computational Chemistry and Physics; Methods and Applicat Robert Zalesny,Manthos G. Papadopoulos,Jerzy Leszc B

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發(fā)表于 2025-3-30 08:16:00 | 只看該作者
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Local Approximations for an Efficient and Accurate Treatment of Electron Correlation and Electron EOM-CCSD and CC2 theories, as well as a local description of first- and second-order molecular properties are also discussed. Finally, we present some illustrative applications of the outlined methods.
53#
發(fā)表于 2025-3-30 19:04:03 | 只看該作者
The Linear Scaling Semiempirical LocalSCF Method and the Variational Finite LMO Approximation,sis of compact molecular orbitals using constrained atomic orbital expansion (CMO). Gradual release of the expansion constraints leads to determination of the theoretically most localized solution under small non-orthogonality of CMOs. Validation tests confirm good agreement of the LocalSCF method w
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發(fā)表于 2025-3-31 00:40:01 | 只看該作者
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發(fā)表于 2025-3-31 03:30:07 | 只看該作者
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發(fā)表于 2025-3-31 05:54:07 | 只看該作者
Robert Zalesny,Manthos G. Papadopoulos,Jerzy Leszc
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發(fā)表于 2025-3-31 10:44:41 | 只看該作者
58#
發(fā)表于 2025-3-31 17:24:40 | 只看該作者
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發(fā)表于 2025-3-31 19:36:43 | 只看該作者
Péter R. Surján,ágnes Szabadosal smoothing and time series model estimations. Subsequent chapters examine the composite index of leading economic indicators (LEI); review financial statement analysis and mean-variance efficient portfolios; and assess the effectiveness of analysts’ earnings forecasts. Using data from such firms a
60#
發(fā)表于 2025-3-31 23:06:53 | 只看該作者
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