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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 103, 2005 - Issue 6-8: A Special Issue in Honour of Professor Nicholas C. Handy
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Original Articles

On the choice of reference in multi-reference electronic structure theory: minimal references for bond breaking

John S. Sears
&
C. David Sherrill *
Pages 803-814 | Received 18 Jul 2004, Accepted 29 Oct 2004, Published online: 21 Feb 2007

Citations (10)

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Read on this site (1)

L.L. Lodi, O.L. Polyansky & J. Tennyson. (2008) On the treatment of long-range interactions in global potential energy surfaces for chemically bound systems. Molecular Physics 106:9-10, pages 1267-1273.
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Articles from other publishers (9)

Lu T. Xu & Thom H. DunningJr.Jr.. (2022) Dynamical electron correlation and the chemical bond. I. Covalent bonds in AH and AF (A = B–F). The Journal of Chemical Physics 157:1.
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Jeremy P. Coe, Daniel J. Taylor & Martin J. Paterson. (2012) Calculations of potential energy surfaces using Monte Carlo configuration interaction. The Journal of Chemical Physics 137:19.
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Mark M. Law, Jonathan T. Fraser-Smith & Carlo U. Perotto. (2012) The potential energy surface of isomerising disilyne. Physical Chemistry Chemical Physics 14:19, pages 6922.
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Cleanthes A. Nicolaides. 2011. 35 103 .
Petr Slavíček & Todd J. Martínez. (2010) Ab initio floating occupation molecular orbital-complete active space configuration interaction: An efficient approximation to CASSCF . The Journal of Chemical Physics 132:23.
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Piotr Piecuch, Marta Włoch & António J. C. Varandas. (2007) Application of renormalized coupled-cluster methods to potential function of water. Theoretical Chemistry Accounts 120:1-3, pages 59-78.
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Anatoliy V. Luzanov. (2007) Matrix‐covariant representation of high‐order configuration interaction and coupled cluster theories. International Journal of Quantum Chemistry 108:4, pages 671-695.
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Laimutis Bytautas, Takeshi Nagata, Mark S. Gordon & Klaus Ruedenberg. (2007) Accurate ab initio potential energy curve of F2. I. Nonrelativistic full valence configuration interaction energies using the correlation energy extrapolation by intrinsic scaling method . The Journal of Chemical Physics 127:16.
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Piotr Piecuch, Marta Wloch & António J. C. Varandas. 2007. Topics in the Theory Of Chemical and Physical Systems. Topics in the Theory Of Chemical and Physical Systems 63 121 .

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