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Why Is Quantum Chemistry So Complicated?
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9781119019572openalex-snapshot
Molecular Electronic‐Structure Theory
inferredcites →https://doi.org/10.1002/jcc.20495openalex-snapshot
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
inferredcites →https://doi.org/10.1016/b978-0-12-390220-7.x5001-6openalex-snapshot
Second Quantization-Based Methods in Quantum Chemistry
inferredcites →https://doi.org/10.1016/j.trechm.2020.02.005openalex-snapshot
Status and Challenges of Density Functional Theory
inferredcites →https://doi.org/10.1021/acs.accounts.6b00471openalex-snapshot
Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems
inferredcites →https://doi.org/10.1021/ar3000844openalex-snapshot
Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems
inferredcites →https://doi.org/10.1021/ct200030kopenalex-snapshot
Excited-State Electronic Structure with Configuration Interaction Singles and Tamm–Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units
inferredcites →https://doi.org/10.1021/ct501129sopenalex-snapshot
Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory
inferredcites →https://doi.org/10.1021/j100180a030openalex-snapshot
Toward a systematic molecular orbital theory for excited states
inferredcites →https://doi.org/10.1021/ja039556nopenalex-snapshot
Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes
inferredcites →https://doi.org/10.1021/ja9826892openalex-snapshot
What Do the Kohn−Sham Orbitals and Eigenvalues Mean?
inferredcites →https://doi.org/10.1021/jacs.2c03422openalex-snapshot
Finding Valence Antibonding Levels while Avoiding Rydberg, Pseudo-continuum, and Dipole-Bound Orbitals
inferredcites →https://doi.org/10.1021/jp9703768openalex-snapshot
A Quantum Chemical View of Density Functional Theory
inferredcites →https://doi.org/10.1063/1.1332989openalex-snapshot
Correct dissociation behavior of radical ions such as H2+ in density functional calculations
inferredcites →https://doi.org/10.1063/1.1678374openalex-snapshot
Many-Body Green's Functions for Finite, Nonuniform Systems: Applications to Closed Shell Atoms
inferredcites →https://doi.org/10.1063/1.1678845openalex-snapshot
Energy-Shift Theory of Low-Lying Excited Electronic States of Molecules
inferredcites →https://doi.org/10.1063/1.1790971openalex-snapshot
An efficient method for calculating maxima of homogeneous functions of orthogonal matrices: Applications to localized occupied orbitals
inferredcites →https://doi.org/10.1063/1.1858371openalex-snapshot
Describing static correlation in bond dissociation by Kohn–Sham density functional theory
inferredcites →https://doi.org/10.1063/1.3086717openalex-snapshot
Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method
inferredcites →https://doi.org/10.1063/1.431332openalex-snapshot
A complete treatment of the electron propagator through third order
inferredcites →https://doi.org/10.1063/1.464746openalex-snapshot
The equation of motion coupled-cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
inferredcites →https://doi.org/10.1063/1.468592openalex-snapshot
Equation of motion coupled cluster method for electron attachment
inferredcites →https://doi.org/10.1063/1.4823212openalex-snapshot
Monster Matrices: Their Eigenvalues and Eigenvectors
inferredcites →https://doi.org/10.1063/5.0016472openalex-snapshot
Dyson-orbital concepts for description of electrons in molecules
inferredcites →https://doi.org/10.1103/revmodphys.74.601openalex-snapshot
Electronic excitations: density-functional versus many-body Green’s-function approaches
inferredcites →https://doi.org/10.1142/9789812832108_0003openalex-snapshot
DIRECT METHODS IN ELECTRONIC STRUCTURE THEORY
inferredcites →https://doi.org/10.1142/9789812832108_0008openalex-snapshot
GEOMETRY OPTIMIZATION ON POTENTIAL ENERGY SURFACES
inferredcites →https://doi.org/10.1142/9789812832115_0004openalex-snapshot
EXCHANGE–CORRELATION APPROXIMATIONS IN DENSITY-FUNCTIONAL THEORY
inferredcites →https://doi.org/10.1142/9789812832115_0005openalex-snapshot
COUPLED-CLUSTER THEORY: AN OVERVIEW OF RECENT DEVELOPMENTS
inferredcites →https://doi.org/10.1146/annurev.physchem.59.032607.093602openalex-snapshot
Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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inferred← citeshttps://doi.org/10.1007/s12039-025-02392-9openalex-snapshot
Tailoring approach for exploring vibrational features of large molecular systems: A short review
inferred← citeshttps://doi.org/10.1007/s44345-026-00056-wopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.calphad.2024.102707openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.commatsci.2024.113366openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jssc.2023.124071openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jctc.3c00653openalex-snapshot
Automated, Consistent, and Even-Handed Selection of Active Orbital Spaces for Quantum Embedding
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c03164openalex-snapshot
SEAMM: A Simulation Environment for Atomistic and Molecular Modeling
inferred← citeshttps://doi.org/10.1021/acs.jpcb.4c02882openalex-snapshot
Modeling Intermolecular Interactions with Exchange-Hole Dipole Moment Dispersion Corrections to Neural Network Potentials
inferred← citeshttps://doi.org/10.1021/acssuschemeng.6c07351openalex-snapshot
Efficient Separation of 1,2-Dimethoxyethane and Water via [EMIM][AC]-Based Extraction: From Multi-scale Solvent Screening to Process Simulation
inferred← citeshttps://doi.org/10.1038/s41534-023-00767-9openalex-snapshot
Quantum simulation of preferred tautomeric state prediction
inferred← citeshttps://doi.org/10.1063/5.0213317openalex-snapshot
Quantum chemical package Jaguar: A survey of recent developments and unique features
inferred← citeshttps://doi.org/10.1063/5.0233523openalex-snapshot
Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications
inferred← citeshttps://doi.org/10.1063/5.0271469openalex-snapshot
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inferred← citeshttps://doi.org/10.1080/10408398.2023.2245052openalex-snapshot
Novel and efficient techniques in the discovery of antioxidant peptides
inferred← citeshttps://doi.org/10.1088/1402-4896/ad1ad6openalex-snapshot
Hartree-fock roothaan calculations using optimized huzinaga orbitals on small molecules
inferred← citeshttps://doi.org/10.1109/qce60285.2024.00127openalex-snapshot
Scalable Circuit Cutting and Scheduling in a Resource-Constrained and Distributed Quantum System
inferred← citeshttps://doi.org/10.21009/03.1201.fa16openalex-snapshot
PENDEKATAN FUNGSI BASIS SATU DIMENSI UNTUK MENYELESAIKAN PERSAMAAN SCHRÖDINGER UNTUK SISTEM ATOM DAN MOLEKUL MULTI-ELEKTRON
inferred← citeshttps://doi.org/10.26434/chemrxiv-2024-bhprropenalex-snapshot
Modeling Intermolecular Interactions With XDM Dispersion Corrections to Neural Network Potentials
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