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Needs, R J
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1

Variational and diffusion quantum Monte Carlo calculations ..:

Needs, R. J. ; Towler, M. D. ; Drummond, N. D...
The Journal of Chemical Physics.  152 (2020)  15 - p. , 2020
Link: https://doi.org/10.1063/..
 
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2

Using forces to accelerate first-principles anharmonic vibr..:

Prentice, Joseph C. A. ; Needs, R. J.
Physical Review Materials.  1 (2017)  2 - p. , 2017
Link: https://doi.org/10.1103/..
 
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3

Shape and energy consistent pseudopotentials for correlated..:

Trail, J. R. ; Needs, R. J.
The Journal of Chemical Physics.  146 (2017)  20 - p. , 2017
Link: https://doi.org/10.1063/..
 
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4

New tetrahedral polymorphs of the group-14 elements:

Mujica, A ; Pickard, C J ; Needs, R J
Journal of Physics: Conference Series.  950 (2017)  - p. 042010 , 2017
Link: https://doi.org/10.1088/..
 
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5

Pseudopotential for the two-dimensional contact interaction:

Whitehead, T. M. ; Schonenberg, L. M. ; Kongsuwan, N...
Physical Review A.  93 (2016)  4 - p. , 2016
Link: https://doi.org/10.1103/..
 
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6

Pseudopotential for the electron-electron interaction:

Lloyd-Williams, J. H. ; Needs, R. J. ; Conduit, G. J.
Physical Review B.  92 (2015)  7 - p. , 2015
Link: https://doi.org/10.1103/..
 
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7

Computational searches for iron oxides at high pressures:

Weerasinghe, Gihan L ; Pickard, Chris J ; Needs, R J
Journal of Physics: Condensed Matter.  27 (2015)  45 - p. 455501 , 2015
Link: https://doi.org/10.1088/..
 
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8

Quantum Monte Carlo study of the phase diagram of solid mol..:

Drummond, N. D. ; Monserrat, Bartomeu ; Lloyd-Williams, Jonathan H....
Nature Communications.  6 (2015)  1 - p. , 2015
Link: https://doi.org/10.1038/..
 
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9

Correlated electron pseudopotentials for 3d-transition meta..:

Trail, J. R. ; Needs, R. J.
The Journal of Chemical Physics.  142 (2015)  6 - p. , 2015
Link: https://doi.org/10.1063/..
 
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10

Extracting semiconductor band gap zero-point corrections fr..:

Monserrat, Bartomeu ; Conduit, G. J. ; Needs, R. J.
Physical Review B.  90 (2014)  18 - p. , 2014
Link: https://doi.org/10.1103/..
 
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11

Comparison of Smooth Hartree–Fock Pseudopotentials:

Trail, J. R. ; Needs, R. J.
Journal of Chemical Theory and Computation.  10 (2014)  5 - p. 2049-2053 , 2014
Link: https://doi.org/10.1021/..
 
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12

High-fidelity pseudopotentials for the contact interaction:

Bugnion, P. O. ; López Ríos, P. ; Needs, R. J..
Physical Review A.  90 (2014)  3 - p. , 2014
Link: https://doi.org/10.1103/..
 
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13

Electron-Phonon Coupling and the Metallization of Solid Hel..:

Monserrat, Bartomeu ; Drummond, N. D. ; Pickard, Chris J..
Physical Review Letters.  112 (2014)  5 - p. , 2014
Link: https://doi.org/10.1103/..
 
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14

Dissociation of High-Pressure Solid Molecular Hydrogen: A Q..:

Azadi, Sam ; Monserrat, Bartomeu ; Foulkes, W. M. C..
Physical Review Letters.  112 (2014)  16 - p. , 2014
Link: https://doi.org/10.1103/..
 
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15

Comparing electron-phonon coupling strength in diamond, sil..:

Monserrat, Bartomeu ; Needs, R. J.
Physical Review B.  89 (2014)  21 - p. , 2014
Link: https://doi.org/10.1103/..
 
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