Herbert JM - Search Results

1

A new parameterization of the DFT/CIS method with applications to core-level spectroscopy.

Mandal A, Berquist EJ, Herbert JM. Mandal A, et al. Among authors: herbert jm. J Chem Phys. 2024 Jul 28;161(4):044114. doi: 10.1063/5.0220535. J Chem Phys. 2024. PMID: 39051834

2

Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory.

Rohrdanz MA, Herbert JM. Rohrdanz MA, et al. Among authors: herbert jm. J Chem Phys. 2008 Jul 21;129(3):034107. doi: 10.1063/1.2954017. J Chem Phys. 2008. PMID: 18647016

3

A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states.

Rohrdanz MA, Martins KM, Herbert JM. Rohrdanz MA, et al. Among authors: herbert jm. J Chem Phys. 2009 Feb 7;130(5):054112. doi: 10.1063/1.3073302. J Chem Phys. 2009. PMID: 19206963

4

The static-exchange electron-water pseudopotential, in conjunction with a polarizable water model: a new Hamiltonian for hydrated-electron simulations.

Jacobson LD, Williams CF, Herbert JM. Jacobson LD, et al. Among authors: herbert jm. J Chem Phys. 2009 Mar 28;130(12):124115. doi: 10.1063/1.3089425. J Chem Phys. 2009. PMID: 19334816

5

Time-resolved infrared spectroscopy of the lowest triplet state of thymine and thymidine.

Hare PM, Middleton CT, Mertel KI, Herbert JM, Kohler B. Hare PM, et al. Among authors: herbert jm. Chem Phys. 2008 May 23;347(1-3):383-392. doi: 10.1016/j.chemphys.2007.10.035. Chem Phys. 2008. PMID: 19936322 Free PMC article.

6

A one-electron model for the aqueous electron that includes many-body electron-water polarization: Bulk equilibrium structure, vertical electron binding energy, and optical absorption spectrum.

Jacobson LD, Herbert JM. Jacobson LD, et al. Among authors: herbert jm. J Chem Phys. 2010 Oct 21;133(15):154506. doi: 10.1063/1.3490479. J Chem Phys. 2010. PMID: 20969402

7

A smooth, nonsingular, and faithful discretization scheme for polarizable continuum models: the switching/Gaussian approach.

Lange AW, Herbert JM. Lange AW, et al. Among authors: herbert jm. J Chem Phys. 2010 Dec 28;133(24):244111. doi: 10.1063/1.3511297. J Chem Phys. 2010. PMID: 21197980

8

An efficient, fragment-based electronic structure method for molecular systems: self-consistent polarization with perturbative two-body exchange and dispersion.

Jacobson LD, Herbert JM. Jacobson LD, et al. Among authors: herbert jm. J Chem Phys. 2011 Mar 7;134(9):094118. doi: 10.1063/1.3560026. J Chem Phys. 2011. PMID: 21384961

9

A simple polarizable continuum solvation model for electrolyte solutions.

Lange AW, Herbert JM. Lange AW, et al. Among authors: herbert jm. J Chem Phys. 2011 May 28;134(20):204110. doi: 10.1063/1.3592372. J Chem Phys. 2011. PMID: 21639427

10

An improved treatment of empirical dispersion and a many-body energy decomposition scheme for the explicit polarization plus symmetry-adapted perturbation theory (XSAPT) method.

Lao KU, Herbert JM. Lao KU, et al. Among authors: herbert jm. J Chem Phys. 2013 Jul 21;139(3):034107. doi: 10.1063/1.4813523. J Chem Phys. 2013. PMID: 23883010

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