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"Density functional theory; quadrupole moment; ethylene; bifuran; pure-sampling quantum monte carlo"
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2019-11-10T04:41:21-08:00
2019-07-11T05:41:01-07:00
2019-11-10T04:41:21-08:00
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Quantum Monte Carlo assessment of density functionals for π-electron molecules: ethylene and bifuran
Egor Ospadov; Stuart M. Rothstein; Roi Baer
Molecular Physics, 2019. doi: 10.1080/00268976.2018.1517905
Density functional theory; quadrupole moment; ethylene; bifuran; pure-sampling quantum monte carlo
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