Excited states of methylene from quantum Monte Carlo

Paul M. Zimmerman; Julien Toulouse; Zhiyong Zhang; Charles B. Musgrave; C. J. Umrigar

doi:10.1063/1.3220671

Excited states of methylene from quantum Monte Carlo

The Journal of Chemical Physics ◽

10.1063/1.3220671 ◽

2009 ◽

Vol 131 (12) ◽

pp. 124103 ◽

Cited By ~ 60

Author(s):

Paul M. Zimmerman ◽

Julien Toulouse ◽

Zhiyong Zhang ◽

Charles B. Musgrave ◽

C. J. Umrigar

Keyword(s):

Monte Carlo ◽

Excited States ◽

Quantum Monte Carlo

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Fixed-phase correlation-function quantum Monte Carlo calculations for ground and excited states of helium in neutron-star magnetic fields

Physical Review A ◽

10.1103/physreva.87.032515 ◽

2013 ◽

Vol 87 (3) ◽

Cited By ~ 9

Author(s):

Dirk Meyer ◽

Sebastian Boblest ◽

Günter Wunner

Keyword(s):

Monte Carlo ◽

Correlation Function ◽

Neutron Star ◽

Magnetic Fields ◽

Excited States ◽

Quantum Monte Carlo ◽

Phase Correlation ◽

Monte Carlo Calculations ◽

Fixed Phase

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Structural Optimization by Quantum Monte Carlo: Investigating the Low-Lying Excited States of Ethylene

Journal of Chemical Theory and Computation ◽

10.1021/ct200724q ◽

2012 ◽

Vol 8 (4) ◽

pp. 1260-1269 ◽

Cited By ~ 37

Author(s):

Matteo Barborini ◽

Sandro Sorella ◽

Leonardo Guidoni

Keyword(s):

Monte Carlo ◽

Structural Optimization ◽

Excited States ◽

Quantum Monte Carlo

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Excited states by quantum Monte Carlo methods: Imaginary time evolution with projection operators

Physical Review E ◽

10.1103/physreve.55.3664 ◽

1997 ◽

Vol 55 (3) ◽

pp. 3664-3675 ◽

Cited By ~ 59

Author(s):

D. Blume ◽

M. Lewerenz ◽

P. Niyaz ◽

K. B. Whaley

Keyword(s):

Monte Carlo ◽

Time Evolution ◽

Excited States ◽

Monte Carlo Methods ◽

Quantum Monte Carlo ◽

Projection Operators ◽

Imaginary Time ◽

Quantum Monte Carlo Methods

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Correlation function quantum Monte Carlo studies of rovibrational excited states in molecules

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/33/22/201 ◽

2000 ◽

Vol 33 (22) ◽

pp. R285-R313 ◽

Cited By ~ 10

Author(s):

Frederico V Prudente ◽

L S Costa ◽

Paulo H Acioli

Keyword(s):

Monte Carlo ◽

Correlation Function ◽

Excited States ◽

Quantum Monte Carlo ◽

Monte Carlo Studies

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Multiconfigurational symmetrized-projector quantum Monte Carlo method for low-lying excited states of the Hubbard model

Physical Review B ◽

10.1103/physrevb.54.r2276 ◽

1996 ◽

Vol 54 (4) ◽

pp. R2276-R2279 ◽

Cited By ~ 5

Author(s):

Bhargavi Srinivasan ◽

S. Ramasesha ◽

H. R. Krishnamurthy

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Hubbard Model ◽

Excited States ◽

Quantum Monte Carlo ◽

Quantum Monte Carlo Method

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Accurate excited states with quantum Monte Carlo: looking beyond conventions

10.3990/1.9789036550826 ◽

2020 ◽

Author(s):

Monika Dash

Keyword(s):

Monte Carlo ◽

Excited States ◽

Quantum Monte Carlo

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Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00476 ◽

2019 ◽

Vol 15 (9) ◽

pp. 4896-4906 ◽

Cited By ~ 12

Author(s):

Monika Dash ◽

Jonas Feldt ◽

Saverio Moroni ◽

Anthony Scemama ◽

Claudia Filippi

Keyword(s):

Monte Carlo ◽

Excited States ◽

Configuration Interaction ◽

Quantum Monte Carlo ◽

Excitation Energies

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Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.6b00044 ◽

2016 ◽

Vol 12 (4) ◽

pp. 1674-1683 ◽

Cited By ~ 20

Author(s):

Riccardo Guareschi ◽

Habiburrahman Zulfikri ◽

Csaba Daday ◽

Franca Maria Floris ◽

Claudio Amovilli ◽

...

Keyword(s):

Monte Carlo ◽

Excited States ◽

Quantum Monte Carlo ◽

Force Fields ◽

Polarizable Force Fields

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Guiding Function and Basis Function Optimization in Correlation Function Quantum Monte Carlo Calculations of Vibrational Excited States in Molecules

The Journal of Physical Chemistry A ◽

10.1021/jp036575a ◽

2004 ◽

Vol 108 (7) ◽

pp. 1305-1311 ◽

Cited By ~ 1

Author(s):

Frederico V. Prudente ◽

Luis S. Costa ◽

Paulo H. Acioli

Keyword(s):

Monte Carlo ◽

Correlation Function ◽

Excited States ◽

Basis Function ◽

Quantum Monte Carlo ◽

Function Optimization ◽

Monte Carlo Calculations ◽

Guiding Function

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Excited States of Weakly Bound Bosonic Clusters: Discrete Variable Representation and Quantum Monte Carlo†

The Journal of Physical Chemistry A ◽

10.1021/jp056577q ◽

2006 ◽

Vol 110 (16) ◽

pp. 5391-5394 ◽

Cited By ~ 14

Author(s):

M. P. Nightingale ◽

Pierre-Nicholas Roy

Keyword(s):

Monte Carlo ◽

Excited States ◽

Quantum Monte Carlo ◽

Discrete Variable ◽

Discrete Variable Representation ◽

Weakly Bound ◽

Variable Representation

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