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Tiled unitary product states for strongly correlated Hamiltonians

Faraday Discuss., 2024, 254,157-169
DOI: 10.1039/D4FD00064A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Hugh G. A. Burton
Numerical results demonstrate that highly accurate energies can be achieved with a compact quantum-compatible ansatz for both weak and strong correlation in the Hubbard model, and the repulsive pairing Hamiltonian.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Restoring translational symmetry in periodic all-orbital dynamical mean-field theory simulations

Faraday Discuss., 2024, 254,641-652
DOI: 10.1039/D4FD00068D, Paper
Open Access
Jiachen Li, Tianyu Zhu
The use of overlapping atom-centered impurity fragments in recently-developed ab initio all-orbital DMFT, where all local orbitals within the impurity are treated with high-level quantum chemistry impurity solvers, is investigated.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Multi-reference coupled cluster theory using the normal ordered exponential ansatz

Faraday Discuss., 2024, 254,170-190
DOI: 10.1039/D4FD00044G, Paper
Alexander D. Gunasekera, Nicholas Lee, David P. Tew
We examine Lindgren's normal-ordered exponential ansatz to correlate specific spin states using spin-free excitation operators, with the aid of automatic equation generation software.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Novel perturbative and variational methods for stronger correlations: general discussion

Faraday Discuss., 2024, 254,191-215
DOI: 10.1039/D4FD90041C, Discussion
Vibin Abraham, Kemal Atalar, Kenneth O. Berard, George H. Booth, Hugh G. A. Burton, Garnet K.-L. Chan, Francesco A. Evangelista, Maria-Andreea Filip, Emmanuel Giner, Alexander Gunasekera, Peter J. Knowles, Marie-Bernadette Lepetit, Ke Liao, Pierre-François Loos, Erika Magnusson, Nicholas J. Mayhall, Carlos Mejuto-Zaera, Frank Neese, Verena A. Neufeld, Pinkie Ntola, Felix Plasser, Visagan Ravindran, Christian Schilling, Gustavo Scuseria, James Shee, Benjamin X. Shi, David P. Tew, Alex J. W. Thom, Zikuan Wang, Dominika Zgid
The content of this RSS Feed (c) The Royal Society of Chemistry




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Stochastic and low-scaling techniques/extended systems: general discussion

Faraday Discuss., 2024, 254,570-585
DOI: 10.1039/D4FD90043J, Discussion
Ali Alavi, Kemal Atalar, Timothy C. Berkelbach, George H. Booth, Ji Chen, Don Danilov, Werner Dobrautz, Francesco A. Evangelista, Gaurav Harsha, Venkat Kapil, Ke Liao, Pierre-François Loos, Krishna Reddy Nandipati, Felix Plasser, Andrew W. Prentice, Markus Reiher, Brenda Rubenstein, Benjamin Xu Shi, Alex J. W. Thom, Zikuan Wang, Carlos Mejuto-Zaera, Dominika Zgid, Martijn A. Zwijnenburg
The content of this RSS Feed (c) The Royal Society of Chemistry




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Stochastic and low-scaling techniques: general discussion

Faraday Discuss., 2024, 254,451-499
DOI: 10.1039/D4FD90042A, Discussion
Ali Alavi, Marcus Allen, Kemal Atalar, Timothy C. Berkelbach, George H. Booth, Hugh G. A. Burton, Garnet Kin-Lic Chan, Luca Craciunescu, Don Danilov, Werner Dobrautz, Francesco A. Evangelista, Maria-Andreea Filip, Emmanuel Giner, Gabriel Greene-Diniz, Andreas Grüneis, Yang Guo, Gaurav Harsha, Basil Ibrahim, Venkat Kapil, Daniel Kats, Peter J. Knowles, Marie-Bernadette Lepetit, Ke Liao, Giovanni Li Manni, Pierre-François Loos, Erika Magnusson, Antoine Marie, Carlos Mejuto-Zaera, Frank Neese, Arman Nejad, Verena A. Neufeld, Katarzyna Pernal, Felix Plasser, Andrew W. Prentice, Visagan Ravindran, Umatur Rehman, Markus Reiher, Christian Schilling, Gustavo Scuseria, James Shee, Benjamin X. Shi, Kalman Szenes, David P. Tew, Alex J. W. Thom, Zikuan Wang, Dominika Zgid, Andrew Zhu, Martijn A. Zwijnenburg
The content of this RSS Feed (c) The Royal Society of Chemistry







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BRICS Summit Prelude: India and China move to defuse border tensions

India and China share a disputed border that stretches 3,440 km (2,100 miles) and remains poorly defined. Natural features, such as rivers, lakes and snow-covered areas, cause the border to shift at times, bringing soldiers from both sides into direct contact and increasing the chance of conflict.




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Need for a nuanced approach and realistic expectations from BRICS+

PM Modi met with Chinese President Xi Jinping on the sidelines of the BRICS+ Summit. This was the first meeting between Modi and Xi after the military standoff between both countries in Galwan in 2020 (the previous one being in Mahabalipuram in 2019).




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DNA TV Show: Hindus in Bangladesh unite against fundamentalism

The protests included men, women, and children, many of whom dressed like Mahant Chinmay Krishna Das to show their support.




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DNA TV Show: Why Election Commission changed Assembly by-elections' dates

SP chief Akhilesh Yadav alleged the postponement was an old trick of the BJP to avoid losing elections.




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DNA TV Show: Why Pakistan worried about a Donald Trump presidency

Donald Trump won this time both in terms of popular votes and electoral college votes.




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DNA TV Show: Why thousands of aspirants protested against UPPSC in Prayagraj

For the first time, the UPPSC has scheduled UP PCS and RO/ARO examinations in two days.




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Sanju Samson Birthday: Unique record held by Kerala cricketer in T20I that even MS Dhoni couldn't attain

Samson's journey has not been easy. New T20 captain Suryakumar Yadav and head coach Gautam Gambhir gave him confidence after a disappointing tour of Sri Lanka earlier this year when he struggled with form




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IPL 2025: CSK CEO breaks silence on rumours linking Rishabh Pant with Chennai Super Kings, says 'We discussed...'

Viswanathan said we had discussions with Ruturaj Gaikwad, MS Dhoni, and coach Stephen Fleming




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6,6,6,6,6,4,4,4,4,4: Shubman Gill's MASSIVE 268 runs in Ranji against...

All eyes will be on Gill as he prepares for the upcoming Border-Gavaskar Trophy series against Australia, beginning November 22




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IND vs SA: Varun Chakravarthy takes 5-wicket-haul but enters THIS unwanted record in 2nd T20I

South Africa on Sunday secured a three-wicket win against India in the second T20I to level the series 1-1.




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KL Rahul breaks silence on LSG exit in IPL, says, 'I wanted to go...'

Rahul made 1410 runs, making him the team's leading run-getter in three seasons, before not being retained by the Lucknow Super Giants ahead of the 2025 season.




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Champions Trophy: PCB to seek clarity from ICC after BCCI refuses to send Indian team to Pakistan

The PCB was told by the ICC that BCCI won't send its team to Pakistan after the decision was communicated to the world governing body.




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Rashid Khan narrowly escapes serious head injury during AFG vs BAN, WATCH viral video

The incident involving Rashid Khan and Rahmanullah Gurbaz occurred during the third ODI between Afghanistan and Bangladesh at Sharjah Cricket Stadium on Monday, November 11.




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Afghanistan Star Rahmanullah Gurbaz breaks Virat Kohli, Sachin Tendulkar's record, achieves THIS massive feat

This remarkable achievement came during a thrilling match against Bangladesh in Sharjah




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Pakistan Cricket looking to take BIG step on Champions Trophy issue, planning to...

India's refusal has led to growing speculation that the PCB may advise the Pakistani government to...




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Maharashtra polls: Congress suspends seven more rebel candidates

The newly suspended leaders include -- Shamkant Saner, Rajendra Thakur, Aba Bagul, Manish Anand, Suresh Kumar Jethliya, Kalyan Borade, and Chandrapaul Chauksey.




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Justice Sanjiv Khanna takes oath as 51st Chief Justice of India

The outgoing CJI, Dhananjay Yashwant Chandrachud, retired on Sunday, making way for Justice Khanna, who will serve a six-month tenure as the Chief Justice.




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'Saints have in every age, helped humanity...': PM Modi at 200th anniversary of Shree Swaminarayan Mandir

The Prime Minister also asserted that this event is not just a praise of history. It is a great opportunity for every person like him, who has grown up with unflinching faith in Vadtal Dham.




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Big blow to former JD(S) MP Prajwal Revanna as SC denies bail in rape case

On May 31, he was arrested from Bengaluru airport by CID's SIT on his return from Germany where he remained for 35 days after hundreds of explicit videos surfaced allegedly featuring him with multiple women. He lost the Lok Sabha election by over 40,000 votes.




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Manipur: 11 suspected militants killed in gunfight with security forces in Jiribam

This incident followed an earlier attack, where armed militants set multiple shops ablaze in the Borobekra subdivision of Jiribam district earlier in the day.




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Sustainability Takes Center Stage in US Manufacturing with Leader Viralsinh Solanki at the Forefront

Viralsinh, a visionary software developer and manufacturing expert, has introduced state-of-the-art technologies such as the manufacturing execution system (MES).




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Chennai Rains: IMD issues yellow alert, predicts showers in Tamil Nadu, Puducherry and Andhra Pradesh

A low-pressure area is anticipated to form over the southwest Bay of Bengal within the next 24 hours, potentially leading to isolated heavy rainfall in Tamil Nadu from November 11 to 17




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J-K: Gunfight underway between security forces and terrorists in Bandipora

After suspicious activity was observed, the security forces challenged the terrorists, who fired at the forces. The firing was effectively retaliated, leading to the encounter.




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India's retail inflation rises to 6.21% in October amid higher food prices, breaches RBI's upper tolerance level

The consumer price index-based inflation was 4.87 per cent in October 2023.




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US President-elect Donald Trump appoints Susan Wiles as White House chief of staff, first woman to hold position

Wiles was the campaign manager for Trump's highly successful 2024 Campaign for President.




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Meet Susie Wiles, Donald Trump's new White House Chief of Staff, creates history by becoming 1st woman to hold post

After briefly managing Utah Gov. Jon Huntsman's 2012 presidential campaign, she ran Trump's 2016 effort in Florida, when his win in the state helped him clinch the White House. She has a history with Ron DeSantis.




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Donald Trump's second term worries Elon Musk's transgender daughter, says....

Wilson on Thursday announced her plans to leave America after Donald Trump reclaimed the US presidency. She said that she doesn't see a future in the country.




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President Joe Biden reacts to Trump's victory, assures 'peaceful transfer of power', appeals Democratic supporters to..

Donald Trump, who lost the 2020 elections to President Biden, pulled off an incredible comeback, wresting 295 electoral college votes against Harris' 226 in a fierce contest that almost left the Americans with two world views.




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Collaborative global response a must to combat climate change effectively: Dr Sanju Purohit

Till a few years ago, people did not pay much heed to the issue of Climate Change, but some recent occurrences like the Polar Bear shooting in Iceland and flooding in Sahara Desert have raised an urgent alarm. To gather more information about the same, we spoke with Dr Sanju Purohit, a scholar and expert in Geology, Natural Resources and Climate Change. She spoke in detail about the recent incidences as well as issues such as the impact of migration & urbanization in the Indian context. Here are the excerpts from the interview:




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'Echo dark moments in history': US President Biden condemns 'antisemitic' attacks on Israeli soccer fans in Amsterdam

Joe Biden's statement comes a day after Israeli soccer fans were assaulted by young people in hit-and-run scooter attacks. Dutch authorities said the incident was likely a result of calls on social media to attack Jewish people.




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Pakistan: 20 killed, 46 injured in explosion at Quetta railway station in Balochistan

At least 20 people were killed, and 46 others were injured after an explosion occurred at the Quetta Railway Station in Pakistan's Balochistan on Saturday, i.e., November 9.




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Canada ends fast-track visas for foreign students, know how will it affect Indians

The scheme was introduced to simplify the visa application process for students from 14 countries, which included India.




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Calculated Risk: Exploring Iran's motives behind alleged Donald Trump assassination plot

FBI Director Christopher Wray stated on Friday that the charges revealed Iran's ongoing bold attempts to go after US citizens.




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Won't have sex: US women vow to say no to sex and marriage as part of 4B protest, know what it is and why

American women are joining the 4B movement to protest rejecting sex, relationships, and childbirth as a form of resistance against...




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Israel PM Netanyahu admits Israel's role in Hezbollah pager, walkie-talkie attacks that killed 39 people

The attacks, carried out on September 17 and 18, targeted thousands of handheld pagers and hundreds of walkie-talkies used by Hezbollah members across Lebanon and Syria.




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Amid threats of violent protests, Brampton Triveni temple cancels event

The authorities appologised to the community members, stating, "We apologize to all community members who were depending on the event. We are deeply saddened that Canadians now feel unsafe coming to Hindu Temples in Canada."




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Donald Trump plans to pick Marco Rubio as US Secretary of State: Report

Following his win over Democratic candidate and US Vice President Kamala Harris, Trump is moving to fill out his foreign policy and national security team ahead of his formal inauguration in January 2025.




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Can Kamala Harris still become US President after losing election to Donald Trump? Know how it's possible

Some Democrats urge President Biden to step down so Kamala Harris despite losing to Trump to become the first...




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Mumbai Coastal Road: No more free travel on Bandra-Worli sea link connector, have to pay Rs...

This is the third opening of the 10.5 km long coastal road project within a period of three months




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Mumbai: Rs 58000 crore plan approved to cut travel time across city; check details

The MMRDA has unveiled a Rs 58,000 crore plan to create a network of ring roads around Mumbai, aiming to reduce congestion and improve travel efficiency over the next five years.




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Guru Purab Bank Holiday November 15: Are banks open or closed on Guru Nanak Jayanti?

For the most accurate information regarding specific bank operations in your area, it is advisable to check with your local bank or refer to the RBI holiday calendar.