Investigation of challenging spin systems using Monte Carlo configuration interaction and the density matrix renormalization group.

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Investigation of challenging spin systems using Monte Carlo configuration interaction and the density matrix renormalization group.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年學術文章

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2017年學術文章

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Investigation of challenging s ...... matrix renormalization group.

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Investigation of challenging s ...... matrix renormalization group.

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Investigation of challenging s ...... matrix renormalization group.

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Investigation of challenging s ...... matrix renormalization group.

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Investigation of challenging s ...... matrix renormalization group.

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Investigation of challenging s ...... matrix renormalization group.

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P1476

Investigation of challenging s ...... matrix renormalization group.

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P2093

Jeremy P Coe

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Nuno M S Almeida

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P2860

Spectroscopic and theoretical investigations of vibrational frequencies in binary unsaturated transition-metal carbonyl cations, neutrals, and anions.

Investigating Multireference Character and Correlation in Quantum Chemistry.

Excited States of the Nickel Carbonyls Ni(CO) and Ni(CO)4: Challenging Molecules for Electronic Structure Theory.

State-averaged Monte Carlo configuration interaction applied to electronically excited states.

Monte Carlo configuration interaction applied to multipole moments, ionisation energies and electron affinities.

Quasiparticle energies and lifetimes in a metallic chain model of a tunnel junction.

Entangled quantum electronic wavefunctions of the Mn₄CaO₅ cluster in photosystem II.

Monte Carlo configuration interaction with perturbation corrections for dissociation energies of first row diatomic molecules: C2, N2, O2, CO, and NO.

Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen).

Spin-adapted density matrix renormalization group algorithms for quantum chemistry.

P304

2701-2712

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P31

scholarly article

P356

10.1002/JCC.25057

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P433

http://www.w3.org/2001/XMLSchema#string

P478

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P50

Martin J Paterson

P577

2017-09-02T00:00:00Z

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P698

28865122

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