Lista de obras - Peter A Limacher - Dominio Público Uruguay

2,3-Diphenylbutadiene and donor-acceptor functionalized derivatives: exploring the competition between conjugation paths in branched pi-systems

artículo científico publicado en 2008

A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals

artículo científico publicado en 2013

A Scheme for the Evaluation of Electron Delocalization and Conjugation Efficiency in Linearly π-Conjugated Systems

artículo científico publicado en 2009

A new wavefunction hierarchy for interacting geminals.

artículo científico publicado en 2016

A systematic analysis of the structure and (hyper)polarizability of donor-acceptor substituted polyacetylenes using a Coulomb-attenuating density functional

artículo científico publicado en 2009

Assessing the accuracy of new geminal-based approaches.

artículo científico publicado en 2014

Chemical information media in the chemistry lecture hall: a comparative assessment of two online encyclopedias.

artículo científico publicado en 2010

Computational study of the molecular structure and hydrogen bonding in the Hamilton wedge/cyanuric acid binding motif.

artículo científico publicado en 2017

Finding optimal finite field strengths allowing for a maximum of precision in the calculation of polarizabilities and hyperpolarizabilities

scientific article published on 04 April 2013

Finite Field Method for Nonlinear Optical Property Prediction Using Rational Function Approximants

artículo científico publicado en 2017

Impact of donor-acceptor functionalization on the properties of linearly π-conjugated oligomers: establishing quantitative relationships for the substituent and substituent cooperative effect based on quantum chemical calculations.

artículo científico publicado en 2013

Longitudinal static optical properties of hydrogen chains: finite field extrapolations of matrix product state calculations.

artículo científico publicado en 2012

On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional

artículo científico publicado en 2009

On the effect of electron correlation on the static second hyperpolarizability of π conjugated oligomer chains

artículo científico publicado en 2011

Orbital Energies for Seniority-Zero Wave Functions

artículo científico publicado en 2015

Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal. ⬇️

artículo científico publicado en 2014

Richardson-Gaudin mean-field for strong correlation in quantum chemistry

scientific article published on 01 September 2020

Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals

artículo científico publicado en 2014

Strategies for extending geminal-based wavefunctions: Open shells and beyond

Structural features analysis and nonlinearity of end-cap-substituted polyacetylenes

artículo científico publicado en 2010

Lista de obras de Peter A Limacher

2,3-Diphenylbutadiene and donor-acceptor functionalized derivatives: exploring the competition between conjugation paths in branched pi-systems

A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals

A Scheme for the Evaluation of Electron Delocalization and Conjugation Efficiency in Linearly π-Conjugated Systems

A new wavefunction hierarchy for interacting geminals.

A systematic analysis of the structure and (hyper)polarizability of donor-acceptor substituted polyacetylenes using a Coulomb-attenuating density functional

Assessing the accuracy of new geminal-based approaches.

Chemical information media in the chemistry lecture hall: a comparative assessment of two online encyclopedias.

Computational study of the molecular structure and hydrogen bonding in the Hamilton wedge/cyanuric acid binding motif.

Finding optimal finite field strengths allowing for a maximum of precision in the calculation of polarizabilities and hyperpolarizabilities

Finite Field Method for Nonlinear Optical Property Prediction Using Rational Function Approximants

Impact of donor-acceptor functionalization on the properties of linearly π-conjugated oligomers: establishing quantitative relationships for the substituent and substituent cooperative effect based on quantum chemical calculations.

Longitudinal static optical properties of hydrogen chains: finite field extrapolations of matrix product state calculations.

On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional

On the effect of electron correlation on the static second hyperpolarizability of π conjugated oligomer chains

Orbital Energies for Seniority-Zero Wave Functions

Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal. ⬇️

Richardson-Gaudin mean-field for strong correlation in quantum chemistry

Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals

Strategies for extending geminal-based wavefunctions: Open shells and beyond

Structural features analysis and nonlinearity of end-cap-substituted polyacetylenes