List of works - Jiří Pittner

A Local Pair Natural Orbital-Based Multireference Mukherjee's Coupled Cluster Method

scientific article published on 01 July 2015

Ab initio calculations on the formation and rearrangement of spiropentane

scientific article published in October 2009

Adiabatic state preparation study of methylene ⬇️

scientific article published in June 2014

An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground-State: A Nexus between Theory and Experiment

scientific article published on 29 August 2018

An explicitly correlated Mukherjee's state specific coupled cluster method: development and pilot applications

scientific article published on 01 March 2012

Analytic gradient for the multireference Brillouin-Wigner coupled cluster method and for the state-universal multireference coupled cluster method

scientific article published in September 2007

Communication: Application of state-specific multireference coupled cluster methods to core-level excitations.

scientific article published in November 2012

Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions

scientific article published on 21 December 2016

Corrigendum: An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground-State: A Nexus between Theory and Experiment

scientific article published on 21 January 2020

Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions ⬇️

Coupled Cluster Study of Polycyclopentanes: Structure and Properties of C5H2n, n = 0-4

Domain-Based Local Pair Natural Orbital Version of Mukherjee's State-Specific Coupled Cluster Method

scientific article published on 18 January 2018

Ground state of the Fe(ii)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study

scientific article published on 27 July 2020

Implementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism

scientific article published on 01 September 2012

Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory.

scientific article published in March 2015

Multireference Brillouin-Wigner Coupled Cluster Singles and Doubles (MRBWCCSD) and Multireference Doubles Configuration Interaction (MRD-CI) Calculations for the Bergman Cyclization Reaction

scientific article published in 2003

Multireference Brillouin-Wigner coupled cluster method with singles, doubles, and triples: efficient implementation and comparison with approximate approaches

scientific article published on 01 March 2008

Multireference Brillouin-Wigner coupled clusters method with noniterative perturbative connected triples

scientific article published on 01 April 2006

Multireference Mukherjee's coupled cluster method with triexcitations in the linked formulation: Efficient implementation and applications

scientific article published in April 2010

Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations

scientific article

Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations using uncoupled approximation ⬇️

scientific article published on April 21, 2011

Near-linear Scaling in DMRG-based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T)

scientific article published on 10 April 2020

Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer

scientific article published on 13 March 2019

Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism

scientific article published in February 2012

Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method

scientific article published on 01 February 2019

Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods.

scientific article published in October 2016

Quantum Computing Approach to Nonrelativistic and Relativistic Molecular Energy Calculations

article published in 2014

Quantum chemistry beyond Born-Oppenheimer approximation on a quantum computer: A simulated phase estimation study

scholarly article by Libor Veis et al published 22 June 2016 in International Journal of Quantum Chemistry

Quantum computing applied to calculations of molecular energies: CH2 benchmark

scientific article published in November 2010

Quantum information-based analysis of electron-deficient bonds

scientific article published on 01 May 2019

Relativistic quantum chemistry on quantum computers

scholarly article by Libor Veis et al published 23 March 2012 in Physical Review A

The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies