Herbert JM - Search Results

1

Time-Dependent Density Functional Theory for X-ray Absorption Spectra: Comparing the Real-Time Approach to Linear Response.

Herbert JM, Zhu Y, Alam B, Ojha AK. Herbert JM, et al. J Chem Theory Comput. 2023 Oct 10;19(19):6745-6760. doi: 10.1021/acs.jctc.3c00673. Epub 2023 Sep 14. J Chem Theory Comput. 2023. PMID: 37708349

2

Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory.

Zhang X, Herbert JM. Zhang X, et al. Among authors: herbert jm. J Chem Phys. 2014 Aug 14;141(6):064104. doi: 10.1063/1.4891984. J Chem Phys. 2014. PMID: 25134548

3

Analytic derivative couplings in time-dependent density functional theory: Quadratic response theory versus pseudo-wavefunction approach.

Zhang X, Herbert JM. Zhang X, et al. Among authors: herbert jm. J Chem Phys. 2015 Feb 14;142(6):064109. doi: 10.1063/1.4907376. J Chem Phys. 2015. PMID: 25681889

4

An efficient and accurate approximation to time-dependent density functional theory for systems of weakly coupled monomers.

Liu J, Herbert JM. Liu J, et al. Among authors: herbert jm. J Chem Phys. 2015 Jul 21;143(3):034106. doi: 10.1063/1.4926837. J Chem Phys. 2015. PMID: 26203013

5

Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.

Lao KU, Schäffer R, Jansen G, Herbert JM. Lao KU, et al. Among authors: herbert jm. J Chem Theory Comput. 2015 Jun 9;11(6):2473-86. doi: 10.1021/ct5010593. Epub 2015 May 4. J Chem Theory Comput. 2015. PMID: 26575547

6

Ab Initio Implementation of the Frenkel-Davydov Exciton Model: A Naturally Parallelizable Approach to Computing Collective Excitations in Crystals and Aggregates.

Morrison AF, You ZQ, Herbert JM. Morrison AF, et al. Among authors: herbert jm. J Chem Theory Comput. 2014 Dec 9;10(12):5366-76. doi: 10.1021/ct500765m. J Chem Theory Comput. 2014. PMID: 26583220

7

Many-Body Expansion with Overlapping Fragments: Analysis of Two Approaches.

Richard RM, Herbert JM. Richard RM, et al. Among authors: herbert jm. J Chem Theory Comput. 2013 Mar 12;9(3):1408-16. doi: 10.1021/ct300985h. Epub 2013 Feb 21. J Chem Theory Comput. 2013. PMID: 26587603

8

Improving Generalized Born Models by Exploiting Connections to Polarizable Continuum Models. I. An Improved Effective Coulomb Operator.

Lange AW, Herbert JM. Lange AW, et al. Among authors: herbert jm. J Chem Theory Comput. 2012 Jun 12;8(6):1999-2011. doi: 10.1021/ct300111m. Epub 2012 May 1. J Chem Theory Comput. 2012. PMID: 26593834

9

Improving Generalized Born Models by Exploiting Connections to Polarizable Continuum Models. II. Corrections for Salt Effects.

Lange AW, Herbert JM. Lange AW, et al. Among authors: herbert jm. J Chem Theory Comput. 2012 Nov 13;8(11):4381-92. doi: 10.1021/ct300493y. Epub 2012 Sep 10. J Chem Theory Comput. 2012. PMID: 26605600

10

A Simple Algorithm for Determining Orthogonal, Self-Consistent Excited-State Wave Functions for a State-Specific Hamiltonian: Application to the Optical Spectrum of the Aqueous Electron.

Jacobson LD, Herbert JM. Jacobson LD, et al. Among authors: herbert jm. J Chem Theory Comput. 2011 Jul 12;7(7):2085-93. doi: 10.1021/ct200265t. Epub 2011 Jun 23. J Chem Theory Comput. 2011. PMID: 26606480

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