Paweł Tecmer - Publications, H-index & Citations

Paweł Tecmer

nicolaus copernicus university

23H指数

75论文数

1.7K被引数

收录论文 24

发表时间

Frontier Orbital Engineering in Heteroatom-Doped Prototypical Organic Dyes for Dye-Sensitized Solar Cells 异原子掺杂原型有机染料用于染料敏化太阳能电池的前沿轨道调控

The Journal of Physical Chemistry A

IF2.8

2026-05-29

PREAI

Aditi Singh; Ram Dhari Pandey; Subrata Jana; Prasanjit Samal; Paweł Tecmer; Szymon Ṡmiga

Ionization Potentials at Mean-Field Computational Cost: The Extended Koopmans’ Framework for pCCD 平均场计算成本下的电离势：pCCD的扩展Koopmans框架

Journal of Chemical Theory and Computation

IF5.5

2026-03-13

PREAI

Seyedehdelaram Jahani; Katharina Boguslawski; Paweł Tecmer

Electron Affinities from Equation-of-Motion Frozen Pair-Type Coupled Cluster Methods and Their Dependence on Single Excitations; Molecular Orbitals; and Basis Set Sizes 从运动方程冻结对型耦合簇方法得到的电子亲和能及其对单激发、分子轨道和基组尺寸的依赖性

Journal of Chemical Theory and Computation

IF5.5

2025-10-06

OAAI

Saman Behjou; Paweł Tecmer; Katharina Boguslawski

Expectation Value-pCCD-Based Methods for Single-Electron Properties 基于期望值-pCCD方法用于单电子性质

The Journal of Physical Chemistry A

IF0

2025-07-16

OAAI

Rahul Chakraborty; Somayeh Ahmadkhani; Julian Świerczyński; Katharina Boguslawski; Paweł Tecmer

Frozen-Pair-Type pCCD-Based Methods and Their Double Ionization Variants to Predict Properties of Prototypical BN-Doped Light Emitters 基于冻结对型pCCD方法及其双电离变体预测原型B-N掺杂发光体的性质

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-05-14

OAAI

Pandey, Ram Dhari; de Moraes, Matheus Morato F.; Boguslawski, Katharina; Tecmer, Pawel

Simple and efficient computational strategies for calculating orbital energies and pair-orbital energies from pCCD-based methods 基于pCCD方法的简单且高效的计算轨道能量和成对轨道能量的计算策略

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2025-05-12

OAAI

Jahani, Seyedehdelaram; Ahmadkhani, Somayeh; Boguslawski, Katharina; Tecmer, Pawel

Domain-Based Charge-Transfer Decomposition and Its Application to Explore the Charge-Transfer Character in Prototypical Dyes 基于域的电荷转移分解及其在探索原型染料中电荷转移特性方面的应用

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2025-04-29

OAAI

Szczuczko, Lena; Galynska, Marta; Kriebel, Maximilian H.; Tecmer, Pawel

Linear Response pCCD-Based Methods: LR-pCCD and LR-pCCD plus S Approaches for the Efficient and Reliable Modeling of Excited State Properties

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-11-20

OAAI

Ahmadkhani, Somayeh; Boguslawski, Katharina; Tecmer, Pawel

Toward Reliable Dipole Moments without Single Excitations: The Role of Orbital Rotations and Dynamical Correlation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-05-29

OAAI

Chakraborty, Rahul; de Moraes, Matheus Morato F.; Boguslawski, Katharina; Nowak, Artur; Swierczynnski, Julian; Tecmer, Pawel

PyBEST: Improved functionality and enhanced performance

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2024-04-01

OAAI

Boguslawski, Katharina; Brzek, Filip; Chakraborty, Rahul; Cieslak, Kacper; Jahani, Seyedehdelaram; Leszczyk, Aleksandra; Nowak, Artur; Sujkowski, Emil; Swierczynski, Julian; Ahmadkhani, Somayeh; Kedziera, Dariusz; Kriebel, Maximilian H.; Zuchowski, Piotr Szymon; Tecmer, Pawel

Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-02-02

OAAI

Kriebel, Maximilian H.; Tecmer, Pawel; Galynska, Marta; Leszczyk, Aleksandra; Boguslawski, Katharina

Diffuse Basis Functions for Relativistic s and d Block Gaussian Basis Sets

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-12-14

PREAI

Dyall, Kenneth G.; Tecmer, Pawel; Sunaga, Ayaki

Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics Pythonic黑盒电子结构工具 (PyBEST)。用于化学和物理之间接口的电子结构计算的开源Python平台

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2021-07-01

OAAI

Boguslawski, Katharina; Leszczyk, Aleksandra; Nowak, Artur; Brzek, Filip; Zuchowski, Piotr Szymon; Kedziera, Dariusz; Tecmer, Pawel

Multi-reference ab initio calculations of Hg spectral data and analysis of magic and zero-magic wavelengths

OPTICS EXPRESS

IF3.3

2021-03-05

OAAI

Gogyan, Anahit; Tecmer, Pawel; Zawada, Michal

Benchmarking the Accuracy of Seniority-Zero Wave Function Methods for Noncovalent Interactions

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2019-05-28

OAAI

Brzek, Filip; Boguslawski, Katharina; Tecmer, Pawel; Zuchowski, Piotr Szymon

Benchmark of Dynamic Electron Correlation Models for Seniority-Zero Wave Functions and Their Application to Thermochemistry

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-10-03

OAAI

Boguslawski, Katharina; Tecmer, Pawel

Analysis of two-orbital correlations in wave functions restricted to electron-pair states

PHYSICAL REVIEW B

IF3.7

2016-10-14

OAAI

Boguslawski, Katharina; Tecmer, Pawel; Legeza, Ors

Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2014-10-13

PREAI

Boguslawski, Katharina; Tecmer, Pawel; Bultinck, Patrick; De Baerdemacker, Stijn; Van Neck, Dimitri; Ayers, Paul W.

Communication: Relativistic Fock-space coupled cluster study of small building blocks of larger uranium complexes

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2014-07-31

OAAI

Tecmer, Pawel; Gomes, Andre Severo Pereira; Knecht, Stefan; Visscher, Lucas

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

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2014-06-06

OAAI

Boguslawski, Katharina; Tecmer, Pawel; Limacher, Peter A.; Johnson, Paul A.; Ayers, Paul W.; Bultinck, Patrick; De Baerdemacker, Stijn; Van Neck, Dimitri

研究方向