Works matching IS 1432881X AND DT 2004 AND VI 112 AND IP 5/6
Results: 9
Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 5/6, p. 349, doi. 10.1007/s00214-004-0567-2
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Multicenter bonding and the structure of electron-rich molecules. Model of three-center four-electron bonding reconsidered.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 5/6, p. 419, doi. 10.1007/s00214-004-0597-9
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Approximate formulas for the characteristics of interelectronic angle densities.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 5/6, p. 431, doi. 10.1007/s00214-004-0599-7
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Subshell-pair interelectronic angles of atoms in momentum space.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 5/6, p. 435, doi. 10.1007/s00214-004-0600-5
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Analytical Hartree-Fock gradients with respect to the cell parameter for systems periodic in three dimensions.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 5/6, p. 394, doi. 10.1007/s00214-004-0595-y
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A parallelized integral-direct second-order Møller-Plesset perturbation theory method with a fragment molecular orbital scheme.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 5/6, p. 442, doi. 10.1007/s00214-004-0602-3
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Electron localizability indicator for correlated wavefunctions. I. Parallel-spin pairs.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 5/6, p. 453, doi. 10.1007/s00214-004-0615-y
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Improving numerical integration through basis set expansion.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 5/6, p. 410, doi. 10.1007/s00214-004-0613-0
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Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 5delements Hf-Hg.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2004, v. 112, n. 5/6, p. 403, doi. 10.1007/s00214-004-0607-y
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- Article