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Daniel R Nascimento

Showing results (1-10 of 24) with videos related to

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Physical Chemistry Chemical Physics : PCCP|June 14, 2022
Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methodsDaniel R Nascimento, Niranjan Govind
Physical Chemistry Chemical Physics : PCCP|August 10, 2022
Correction: Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methodsDaniel R Nascimento, Niranjan Govind
Journal of Chemical Theory and Computation|October 26, 2016
Linear Absorption Spectra from Explicitly Time-Dependent Equation-of-Motion Coupled-Cluster TheoryDaniel R Nascimento, A Eugene DePrince
Journal of Chemical Theory and Computation|March 30, 2018
Spatial and Spin Symmetry Breaking in Semidefinite-Programming-Based Hartree-Fock TheoryDaniel R Nascimento, A Eugene DePrince
The Journal of Chemical Physics|November 30, 2019
A general time-domain formulation of equation-of-motion coupled-cluster theory for linear spectroscopyDaniel R Nascimento, A Eugene DePrince
The Journal of Physical Chemistry Letters|June 14, 2017
Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster TheoryDaniel R Nascimento, A Eugene DePrince
Journal of Chemical Theory and Computation|November 21, 2015
A Parametrized Coupled-Pair Functional for Molecular Interactions: PCPF-MIDaniel R Nascimento, A Eugene DePrince
The Journal of Chemical Physics|December 10, 2015
Modeling molecule-plasmon interactions using quantized radiation fields within time-dependent electronic structure theoryDaniel R Nascimento, A Eugene DePrince
The Journal of Physical Chemistry Letters|January 4, 2020
Near-Edge X-ray Absorption Fine Structure Spectroscopy of Heteroatomic Core-Hole States as a Probe for Nearly Indistinguishable Chemical EnvironmentsDaniel R Nascimento, Yu Zhang, Uwe Bergmann, et al.
The Journal of Chemical Physics|September 4, 2025
Fast simulation of soft x-ray near-edge spectra using a relativistic state-interaction approach: Application to closed-shell transition metal complexesSarah Pak, Muhammed A Dada, Niranjan Govind, et al.
Pageof 3

Showing results (1-10 of 24) with videos related to

Sort By:
Pageof 3
Physical Chemistry Chemical Physics : PCCP|June 14, 2022
Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methodsDaniel R Nascimento, Niranjan Govind
Physical Chemistry Chemical Physics : PCCP|August 10, 2022
Correction: Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methodsDaniel R Nascimento, Niranjan Govind
Journal of Chemical Theory and Computation|October 26, 2016
Linear Absorption Spectra from Explicitly Time-Dependent Equation-of-Motion Coupled-Cluster TheoryDaniel R Nascimento, A Eugene DePrince
Journal of Chemical Theory and Computation|March 30, 2018
Spatial and Spin Symmetry Breaking in Semidefinite-Programming-Based Hartree-Fock TheoryDaniel R Nascimento, A Eugene DePrince
The Journal of Chemical Physics|November 30, 2019
A general time-domain formulation of equation-of-motion coupled-cluster theory for linear spectroscopyDaniel R Nascimento, A Eugene DePrince
The Journal of Physical Chemistry Letters|June 14, 2017
Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster TheoryDaniel R Nascimento, A Eugene DePrince
Journal of Chemical Theory and Computation|November 21, 2015
A Parametrized Coupled-Pair Functional for Molecular Interactions: PCPF-MIDaniel R Nascimento, A Eugene DePrince
The Journal of Chemical Physics|December 10, 2015
Modeling molecule-plasmon interactions using quantized radiation fields within time-dependent electronic structure theoryDaniel R Nascimento, A Eugene DePrince
The Journal of Physical Chemistry Letters|January 4, 2020
Near-Edge X-ray Absorption Fine Structure Spectroscopy of Heteroatomic Core-Hole States as a Probe for Nearly Indistinguishable Chemical EnvironmentsDaniel R Nascimento, Yu Zhang, Uwe Bergmann, et al.
The Journal of Chemical Physics|September 4, 2025
Fast simulation of soft x-ray near-edge spectra using a relativistic state-interaction approach: Application to closed-shell transition metal complexesSarah Pak, Muhammed A Dada, Niranjan Govind, et al.
Pageof 3