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Krakauer, Henry
135  Ergebnisse:
Personensuche X
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1

Non-perturbative many-body treatment of molecular magnets:

Eskridge, Brandon ; Krakauer, Henry ; Zhang, Shiwei
The Journal of Chemical Physics.  158 (2023)  23 - p. , 2023
Link: https://doi.org/10.1063/..
 
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2

Ab initio calculations in atoms, molecules, and solids, tre..:

Eskridge, Brandon ; Krakauer, Henry ; Shi, Hao.
The Journal of Chemical Physics.  156 (2022)  1 - p. , 2022
Link: https://doi.org/10.1063/..
 
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3

Local Embedding and Effective Downfolding in the Auxiliary-..:

Eskridge, Brandon ; Krakauer, Henry ; Zhang, Shiwei
Journal of Chemical Theory and Computation.  15 (2019)  7 - p. 3949-3959 , 2019
Link: https://doi.org/10.1021/..
 
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4

Auxiliary-field quantum Monte Carlo calculations of the mol..:

Purwanto, Wirawan ; Zhang, Shiwei ; Krakauer, Henry
The Journal of Chemical Physics.  144 (2016)  24 - p. , 2016
Link: https://doi.org/10.1063/..
 
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5

Electron-phonon coupling and exchange-correlation effects i..:

Komelj, Matej ; Krakauer, Henry
Physical Review B.  92 (2015)  20 - p. , 2015
Link: https://doi.org/10.1103/..
 
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6

An auxiliary-field quantum Monte Carlo study of the chromiu..:

Purwanto, Wirawan ; Zhang, Shiwei ; Krakauer, Henry
The Journal of Chemical Physics.  142 (2015)  6 - p. , 2015
Link: https://doi.org/10.1063/..
 
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7

Quantum Monte Carlo Calculations in Solids with Downfolded ..:

Ma, Fengjie ; Purwanto, Wirawan ; Zhang, Shiwei.
Physical Review Letters.  114 (2015)  22 - p. , 2015
Link: https://doi.org/10.1103/..
 
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8

Stability, Energetics, and Magnetic States of Cobalt Adatom..:

Virgus, Yudistira ; Purwanto, Wirawan ; Krakauer, Henry.
Physical Review Letters.  113 (2014)  17 - p. , 2014
Link: https://doi.org/10.1103/..
 
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9

Excited state calculations in solids by auxiliary-field qua..:

Ma, Fengjie ; Zhang, Shiwei ; Krakauer, Henry
New Journal of Physics.  15 (2013)  9 - p. 093017 , 2013
Link: https://doi.org/10.1088/..
 
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10

Frozen-Orbital and Downfolding Calculations with Auxiliary-..:

Purwanto, Wirawan ; Zhang, Shiwei ; Krakauer, Henry
Journal of Chemical Theory and Computation.  9 (2013)  11 - p. 4825-4833 , 2013
Link: https://doi.org/10.1021/..
 
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11

Ab initiomany-body study of cobalt adatoms adsorbed on grap..:

Virgus, Yudistira ; Purwanto, Wirawan ; Krakauer, Henry.
Physical Review B.  86 (2012)  24 - p. , 2012
Link: https://doi.org/10.1103/..
 
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12

Finite-size correction in many-body electronic structure ca..:

Ma, Fengjie ; Zhang, Shiwei ; Krakauer, Henry
Physical Review B.  84 (2011)  15 - p. , 2011
Link: https://doi.org/10.1103/..
 
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13

Assessing weak hydrogen binding on Ca+ centers: An accurate..:

Purwanto, Wirawan ; Krakauer, Henry ; Virgus, Yudistira.
The Journal of Chemical Physics.  135 (2011)  16 - p. , 2011
Link: https://doi.org/10.1063/..
 
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14

First-principles calculations of 17O nuclear magnetic reson..:

Pechkis, Daniel L. ; Walter, Eric J. ; Krakauer, Henry
The Journal of Chemical Physics.  135 (2011)  11 - p. , 2011
Link: https://doi.org/10.1063/..
 
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15

High sensitivity of O17 NMR to p-d hybridization in transit..:

Pechkis, Daniel L. ; Walter, Eric J. ; Krakauer, Henry
The Journal of Chemical Physics.  131 (2009)  18 - p. , 2009
Link: https://doi.org/10.1063/..
 
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